6VC4
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![BU of 6vc4 by Molmil](/molmil-images/mine/6vc4) | Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD) | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name), CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2019-12-20 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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7EFO
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![BU of 7efo by Molmil](/molmil-images/mine/7efo) | LptB2FG-LPS from Klebsiella pneumoniae in nanodiscs | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Luo, Q, Shi, H. | Deposit date: | 2021-03-22 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM structures of LptB 2 FG and LptB 2 FGC from Klebsiella pneumoniae in complex with lipopolysaccharide. Biochem.Biophys.Res.Commun., 571, 2021
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6MHU
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![BU of 6mhu by Molmil](/molmil-images/mine/6mhu) | Nucleotide-free Cryo-EM Structure of E.coli LptB2FG Transporter | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | Authors: | Orlando, B.J, Li, Y, Liao, M. | Deposit date: | 2018-09-18 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of lipopolysaccharide extraction by the LptB2FGC complex. Nature, 567, 2019
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1ZZR
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![BU of 1zzr by Molmil](/molmil-images/mine/1zzr) | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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6P2J
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![BU of 6p2j by Molmil](/molmil-images/mine/6p2j) | Dimeric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
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7VRS
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![BU of 7vrs by Molmil](/molmil-images/mine/7vrs) | The complex of Acyltransferase and Acyl Carrier Protein Domains from module 9 of Salinomycin Polyketide Synthase | Descriptor: | 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione), 4'-PHOSPHOPANTETHEINE, Type I modular polyketide synthase | Authors: | Feng, Y, Zheng, J. | Deposit date: | 2021-10-24 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase. Acta Crystallogr D Struct Biol, 78, 2022
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8CRP
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![BU of 8crp by Molmil](/molmil-images/mine/8crp) | |
8CRN
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![BU of 8crn by Molmil](/molmil-images/mine/8crn) | |
1ZZT
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![BU of 1zzt by Molmil](/molmil-images/mine/1zzt) | Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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1ZSQ
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![BU of 1zsq by Molmil](/molmil-images/mine/1zsq) | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Myotubularin-related protein 2 | Authors: | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | Deposit date: | 2005-05-25 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1ZTF
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5XGN
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![BU of 5xgn by Molmil](/molmil-images/mine/5xgn) | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | Descriptor: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2017-04-14 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
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5XEZ
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![BU of 5xez by Molmil](/molmil-images/mine/5xez) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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1ZZU
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![BU of 1zzu by Molmil](/molmil-images/mine/1zzu) | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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5XO7
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![BU of 5xo7 by Molmil](/molmil-images/mine/5xo7) | Crystal structure of a novel ZEN lactonase mutant with ligand a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-05-27 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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3CAO
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![BU of 3cao by Molmil](/molmil-images/mine/3cao) | OXIDISED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS | Descriptor: | ARSENIC, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Norager, S, Legrand, P, Pieulle, L, Hatchikian, C, Roth, M. | Deposit date: | 1998-11-17 | Release date: | 2000-07-23 | Last modified: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus. J.Mol.Biol., 290, 1999
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5XLT
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![BU of 5xlt by Molmil](/molmil-images/mine/5xlt) | The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-05-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
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5XPI
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![BU of 5xpi by Molmil](/molmil-images/mine/5xpi) | Structure of UHRF1 TTD in complex with NV01 | Descriptor: | E3 ubiquitin-protein ligase UHRF1, N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide | Authors: | Luo, X, Zhao, K. | Deposit date: | 2017-06-02 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain SLAS Discov, 23, 2018
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2A99
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![BU of 2a99 by Molmil](/molmil-images/mine/2a99) | Crystal structure of recombinant chicken sulfite oxidase at resting state | Descriptor: | CHLORIDE ION, GLYCEROL, MOLYBDENUM ATOM, ... | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2005-07-11 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural insights into sulfite oxidase deficiency J.Biol.Chem., 280, 2005
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3CAR
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![BU of 3car by Molmil](/molmil-images/mine/3car) | REDUCED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS | Descriptor: | ARSENIC, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Norager, S, Legrand, P, Pieulle, L, Hatchikian, C, Roth, M. | Deposit date: | 1998-11-17 | Release date: | 2000-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus. J.Mol.Biol., 290, 1999
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7PDQ
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![BU of 7pdq by Molmil](/molmil-images/mine/7pdq) | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment | Descriptor: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | le Maire, A, Bourguet, W, Guee, L. | Deposit date: | 2021-08-06 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
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5XDQ
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![BU of 5xdq by Molmil](/molmil-images/mine/5xdq) | Bovine heart cytochrome c oxidase in the fully oxidized state with pH 7.3 at 1.77 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-03-29 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of bovine cytochrome c oxidase crystallized at a neutral pH using a fluorinated detergent. Acta Crystallogr F Struct Biol Commun, 73, 2017
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8CFL
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![BU of 8cfl by Molmil](/molmil-images/mine/8cfl) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment E07 | Descriptor: | 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, ADENINE, Adenosylhomocysteinase, ... | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry E07 To be published
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1ZZS
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![BU of 1zzs by Molmil](/molmil-images/mine/1zzs) | Bovine eNOS N368D single mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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5XDX
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![BU of 5xdx by Molmil](/molmil-images/mine/5xdx) | Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-03-30 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH. Acta Crystallogr F Struct Biol Commun, 74, 2018
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