7WMQ
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![BU of 7wmq by Molmil](/molmil-images/mine/7wmq) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7VZU
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![BU of 7vzu by Molmil](/molmil-images/mine/7vzu) | The structure of GdmN Y82F mutant | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, GdmN, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-16 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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1BS2
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![BU of 1bs2 by Molmil](/molmil-images/mine/1bs2) | YEAST ARGINYL-TRNA SYNTHETASE | Descriptor: | ARGININE, PROTEIN (ARGINYL-TRNA SYNTHETASE) | Authors: | Cavarelli, J, Delagouute, B, Eriani, G, Gangloff, J, Moras, D. | Deposit date: | 1998-08-31 | Release date: | 1999-08-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | L-arginine recognition by yeast arginyl-tRNA synthetase. EMBO J., 17, 1998
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7VZY
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![BU of 7vzy by Molmil](/molmil-images/mine/7vzy) | The structure of GdmN complex with AMP and 20-O-methyl-19-chloroproansamitocin | Descriptor: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-17 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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7VZZ
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![BU of 7vzz by Molmil](/molmil-images/mine/7vzz) | The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin | Descriptor: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ... | Authors: | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | Deposit date: | 2021-11-17 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022
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7W1I
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![BU of 7w1i by Molmil](/molmil-images/mine/7w1i) | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7W1K
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![BU of 7w1k by Molmil](/molmil-images/mine/7w1k) | Crystal structure of carboxylesterase from Thermobifida fusca | Descriptor: | Carboxylesterase | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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4IA0
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![BU of 4ia0 by Molmil](/molmil-images/mine/4ia0) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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8I4Z
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![BU of 8i4z by Molmil](/molmil-images/mine/8i4z) | CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8I4Y
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![BU of 8i4y by Molmil](/molmil-images/mine/8i4y) | CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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6SK6
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![BU of 6sk6 by Molmil](/molmil-images/mine/6sk6) | Cryo-EM structure of rhinovirus-B5 | Descriptor: | Rhinovirus B5 VP1, Rhinovirus B5 VP2, Rhinovirus B5 VP3, ... | Authors: | Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M. | Deposit date: | 2019-08-14 | Release date: | 2019-09-04 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site. Proc.Natl.Acad.Sci.USA, 116, 2019
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7W1J
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![BU of 7w1j by Molmil](/molmil-images/mine/7w1j) | Crystal structure of carboxylesterase from Thermobifida fusca with J1K | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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7W1L
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![BU of 7w1l by Molmil](/molmil-images/mine/7w1l) | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X | Descriptor: | Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | Deposit date: | 2021-11-19 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization Acs Catalysis, 12, 2022
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2C30
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![BU of 2c30 by Molmil](/molmil-images/mine/2c30) | Crystal Structure Of The Human P21-Activated Kinase 6 | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6 | Authors: | Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2005-10-02 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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7NOZ
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![BU of 7noz by Molmil](/molmil-images/mine/7noz) | Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 alpha chain, Complement C3 beta chain, ... | Authors: | Lorenzen, J, Pedersen, D.V, Andersen, G.R. | Deposit date: | 2021-02-26 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging. Protein Sci., 31, 2022
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6PAB
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![BU of 6pab by Molmil](/molmil-images/mine/6pab) | |
2BI4
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![BU of 2bi4 by Molmil](/molmil-images/mine/2bi4) | Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli | Descriptor: | CHLORIDE ION, FE (III) ION, LACTALDEHYDE REDUCTASE, ... | Authors: | Montella, C, Bellsolell, L, Badia, J, Baldoma, L, Perez, R, Coll, M, Aguilar, J. | Deposit date: | 2005-01-20 | Release date: | 2005-07-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of an Iron-Dependent Group III Dehydrogenase that Interconverts L-Lactaldehyde and L-1,2-Propanediol in Escherichia Coli J.Bacteriol., 187, 2005
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7UDH
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![BU of 7udh by Molmil](/molmil-images/mine/7udh) | Integrin alaphIIBbeta3 complex with BMS4-3 | Descriptor: | (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-19 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99998844 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UK9
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![BU of 7uk9 by Molmil](/molmil-images/mine/7uk9) | Integrin alaphIIBbeta3 complex with lamifiban (Mn) | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-31 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.60001969 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UFH
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![BU of 7ufh by Molmil](/molmil-images/mine/7ufh) | Integrin alaphIIBbeta3 complex with fradafiban (Mn/Ca) | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-22 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99768162 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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6MIB
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![BU of 6mib by Molmil](/molmil-images/mine/6mib) | |
7UKT
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![BU of 7ukt by Molmil](/molmil-images/mine/7ukt) | Integrin alaphIIBbeta3 complex with BMS4.2 | Descriptor: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.36994433 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UCY
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![BU of 7ucy by Molmil](/molmil-images/mine/7ucy) | Integrin alaphIIBbeta3 complex with gantofiban | Descriptor: | (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34996319 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UKO
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![BU of 7uko by Molmil](/molmil-images/mine/7uko) | Integrin alaphIIBbeta3 complex with sibrafiban (Mn) | Descriptor: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-04-01 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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6PA6
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![BU of 6pa6 by Molmil](/molmil-images/mine/6pa6) | |