6A2J
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![BU of 6a2j by Molmil](/molmil-images/mine/6a2j) | Crystal structure of heme A synthase from Bacillus subtilis | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Heme A synthase, ... | Authors: | Niwa, S, Takeda, K, Kosugi, M, Tsutsumi, E, Miki, K. | Deposit date: | 2018-06-12 | Release date: | 2018-11-21 | Last modified: | 2018-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of heme A synthase fromBacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5RGS
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![BU of 5rgs by Molmil](/molmil-images/mine/5rgs) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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3H9V
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![BU of 3h9v by Molmil](/molmil-images/mine/3h9v) | Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor | Authors: | Kawate, T, Michel, J.C, Gouaux, E. | Deposit date: | 2009-04-30 | Release date: | 2009-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the ATP-gated P2X(4) ion channel in the closed state. Nature, 460, 2009
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3HA0
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![BU of 3ha0 by Molmil](/molmil-images/mine/3ha0) | Crystal structure of the IgE-Fc3-4 domains | Descriptor: | Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Wurzburg, B.A. | Deposit date: | 2009-04-30 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms. J.Mol.Biol., 393, 2009
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1E8X
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![BU of 1e8x by Molmil](/molmil-images/mine/1e8x) | STRUCTURAL INSIGHTS INTO PHOSHOINOSITIDE 3-KINASE ENZYMATIC MECHANISM AND SIGNALLING | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, LUTETIUM (III) ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT | Authors: | Walker, E.H, Perisic, O, Ried, C, Stephens, L, Williams, R.L. | Deposit date: | 2000-10-03 | Release date: | 2000-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine Mol.Cell, 6, 2000
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5EDF
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![BU of 5edf by Molmil](/molmil-images/mine/5edf) | Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis | Descriptor: | AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ... | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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2ITE
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![BU of 2ite by Molmil](/molmil-images/mine/2ite) | Crystal structure of the IsdA NEAT domain from Staphylococcus aureus | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Iron-regulated surface determinant protein A | Authors: | Grigg, J.C, Vermeiren, C.L, Heinrichs, D.E, Murphy, M.E. | Deposit date: | 2006-10-19 | Release date: | 2006-12-26 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Haem recognition by a Staphylococcus aureus NEAT domain. Mol.Microbiol., 63, 2007
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5DMF
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![BU of 5dmf by Molmil](/molmil-images/mine/5dmf) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol | Descriptor: | 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-08 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3ELY
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![BU of 3ely by Molmil](/molmil-images/mine/3ely) | Wesselsbron virus Methyltransferase in complex with AdoHcy | Descriptor: | DI(HYDROXYETHYL)ETHER, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Bollati, M, Milani, M, Ricagno, S, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2008-09-23 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus J.Mol.Biol., 385, 2009
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2MJ4
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![BU of 2mj4 by Molmil](/molmil-images/mine/2mj4) | |
7VAB
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![BU of 7vab by Molmil](/molmil-images/mine/7vab) | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GIPR-Gs complex | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | Deposit date: | 2021-08-28 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
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7VBI
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![BU of 7vbi by Molmil](/molmil-images/mine/7vbi) | Cryo-EM structure of the non-acylated tirzepatide (LY3298176)-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | Deposit date: | 2021-08-31 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
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5DUG
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![BU of 5dug by Molmil](/molmil-images/mine/5dug) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3VDI
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![BU of 3vdi by Molmil](/molmil-images/mine/3vdi) | Structure of the FMO protein from Pelodictyon phaeum | Descriptor: | BACTERIOCHLOROPHYLL A, TETRAETHYLENE GLYCOL, bacteriochlorophyll A protein | Authors: | Tronrud, D.E, Larson, C.R, Seng, C.O, Lauman, L, Matthies, H.J, Wen, J, Blankenship, R.E, Allen, J.P. | Deposit date: | 2012-01-05 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Reinterpretation of the electron density at the site of the eighth bacteriochlorophyll in the FMO protein from Pelodictyon phaeum. Photosynth.Res., 112, 2012
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5X6U
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![BU of 5x6u by Molmil](/molmil-images/mine/5x6u) | Crystal structure of human heteropentameric complex | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | Authors: | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | Deposit date: | 2017-02-23 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
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5DUH
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![BU of 5duh by Molmil](/molmil-images/mine/5duh) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-18 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1P6I
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![BU of 1p6i by Molmil](/molmil-images/mine/1p6i) | Rat neuronal NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-04-29 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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5KOC
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![BU of 5koc by Molmil](/molmil-images/mine/5koc) | Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7 | Descriptor: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Torres, M.A, Hoffarth, E, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2016-06-30 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
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5REF
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![BU of 5ref by Molmil](/molmil-images/mine/5ref) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl 3-(methylsulfonylamino)benzoate | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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3E8U
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![BU of 3e8u by Molmil](/molmil-images/mine/3e8u) | Crystal structure and thermodynamic analysis of diagnostic Fab 106.3 complexed with BNP 5-13 (C10A) reveal basis of selective molecular recognition | Descriptor: | BNP peptide epitope, Fab 106.3 heavy chain, Fab 106.3 light chain | Authors: | Longenecker, K.L, Ruan, Q, Fry, E.H, Saldana, S.S, Brophy, S.E, Richardson, P.L, Tetin, S.Y. | Deposit date: | 2008-08-20 | Release date: | 2009-07-07 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and thermodynamic analysis of diagnostic mAb 106.3 complexed with BNP 5-13 (C10A). Proteins, 76, 2009
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5RET
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![BU of 5ret by Molmil](/molmil-images/mine/5ret) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269 | Descriptor: | 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5KOK
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![BU of 5kok by Molmil](/molmil-images/mine/5kok) | Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25 | Descriptor: | (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ... | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2016-06-30 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
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5RFC
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![BU of 5rfc by Molmil](/molmil-images/mine/5rfc) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFO
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![BU of 5rfo by Molmil](/molmil-images/mine/5rfo) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972 | Descriptor: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5KSV
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![BU of 5ksv by Molmil](/molmil-images/mine/5ksv) | Crystal structure of HLA-DQ2.5-CLIP2 | Descriptor: | HLA class II histocompatibility antigen gamma chain, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1 | Authors: | Nguyen, T.B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M. | Deposit date: | 2016-07-10 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides. J. Biol. Chem., 292, 2017
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