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4HMA
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BU of 4hma by Molmil
Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain
分子名称: CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ...
著者Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A.
登録日2012-10-18
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
3RDP
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BU of 3rdp by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT
分子名称: 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione, SULFATE ION, Thymidine kinase
著者Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L.
登録日2011-04-01
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Nucleosides Nucleotides Nucleic Acids, 30, 2011
6OOG
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BU of 6oog by Molmil
Crystal structure of triosephosphate isomerase from Taenia Solium in complex with 2PG
分子名称: 2-PHOSPHOGLYCOLIC ACID, SODIUM ION, Triosephosphate isomerase
著者Jimenez-Sandoval, P, Brieba, L.
登録日2019-04-23
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structures of Triosephosphate Isomerases from Taenia solium and Schistosoma mansoni provide insights for vaccine rationale and drug design against helminth parasites.
Plos Negl Trop Dis, 14, 2020
8Q9P
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BU of 8q9p by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif
分子名称: HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
8Q9R
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BU of 8q9r by Molmil
Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif
分子名称: Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
分子名称: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
著者Parris, K.D, Mosyak, L.
登録日2015-12-02
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
8Q9Q
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BU of 8q9q by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif
分子名称: HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
6OOI
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BU of 6ooi by Molmil
Crystal structure of triosephosphate isomerase from Schistosoma mansoni in complex with 2PG
分子名称: 2-PHOSPHOGLYCOLIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Jimenez-Sandoval, P, Brieba, L.
登録日2019-04-23
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structures of Triosephosphate Isomerases from Taenia solium and Schistosoma mansoni provide insights for vaccine rationale and drug design against helminth parasites.
Plos Negl Trop Dis, 14, 2020
4MNT
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BU of 4mnt by Molmil
Crystal structure of human DJ-1 in complex with Cu
分子名称: COPPER (II) ION, Protein DJ-1
著者Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L.
登録日2013-09-11
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014
8SBB
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BU of 8sbb by Molmil
Cryo-EM structure of FtAlkB
分子名称: Alkane 1-monooxygenase, DODECANE, FE (III) ION, ...
著者Zhang, J, Feng, L.
登録日2023-04-03
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structure and mechanism of the alkane-oxidizing enzyme AlkB.
Nat Commun, 14, 2023
8JIL
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BU of 8jil by Molmil
Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex
分子名称: CHOLESTEROL, 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, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
4HVP
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BU of 4hvp by Molmil
Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution
分子名称: HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A.
登録日1989-08-08
公開日1990-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase
著者Chen, L, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
8JII
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BU of 8jii by Molmil
Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex
分子名称: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JHY
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BU of 8jhy by Molmil
Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex
分子名称: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-25
公開日2023-09-06
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JIM
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BU of 8jim by Molmil
Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex
分子名称: (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
登録日2023-05-26
公開日2023-09-06
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
4L6E
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BU of 4l6e by Molmil
Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2. Northeast Structural Genomics Consortium (NESG) Target HR9193b
分子名称: E3 SUMO-protein ligase RanBP2
著者Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Kogan, S, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-12
公開日2013-06-26
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2.
To be Published
1RGX
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BU of 1rgx by Molmil
Crystal Structure of resisitin
分子名称: Resistin
著者Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-11-13
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
8JI8
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BU of 8ji8 by Molmil
Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ...
著者Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
登録日2023-05-26
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mosquitoes have evolved two types of prophenoloxidases
To Be Published
8JI5
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BU of 8ji5 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+
分子名称: 5-bromo-L-tryptophan, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI4
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BU of 8ji4 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI3
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BU of 8ji3 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI6
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BU of 8ji6 by Molmil
Crystal structure of AetD in complex with L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI2
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BU of 8ji2 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JIB
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BU of 8jib by Molmil
Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor
著者Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
登録日2023-05-26
公開日2023-11-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mosquitoes have evolved two types of prophenoloxidases
To Be Published

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