4ISH
| Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID | Descriptor: | 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Wei, A. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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2AX5
| Solution Structure of Urm1 from Saccharomyces Cerevisiae | Descriptor: | Hypothetical 11.0 kDa protein in FAA3-MAS3 intergenic region | Authors: | Xu, J, Huang, H, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2005-09-03 | Release date: | 2006-06-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Urm1 and its implications for the origin of protein modifiers. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6TYB
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6MTT
| Crystal structure of VRC46.01 Fab in complex with gp41 peptide | Descriptor: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6MTQ
| Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold | Descriptor: | Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold | Authors: | Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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4ERE
| crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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5KYJ
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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6U0D
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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5KYA
| Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | Descriptor: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | Authors: | Chen, G, McKeever, B.M. | Deposit date: | 2016-07-21 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg.Med.Chem.Lett., 26, 2016
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4ERF
| crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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3GF8
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2F5K
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3K5J
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8QUT
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8QV8
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4EQK
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4ENF
| Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1) | Descriptor: | 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2 | Authors: | Meng, G, Liu, Y, Zheng, X. | Deposit date: | 2012-04-13 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus J.Biol.Chem., 288, 2013
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6RJK
| Structure of virulence factor SghA from Agrobacterium tumefaciens | Descriptor: | Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-27 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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6RJO
| Complex structure of virulence factor SghA with its substrate analog salicin | Descriptor: | 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-28 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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6RK2
| Complex structure of virulence factor SghA mutant with its substrate SAG | Descriptor: | 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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6RJM
| Complex structure of virulence factor SghA and its hydrolysis product glucose | Descriptor: | Beta-glucosidase, alpha-D-glucopyranose | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-27 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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4ES5
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8SX3
| 10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10 | Descriptor: | 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ... | Authors: | Huang, J, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Vaccination induces broadly neutralizing antibody precursors to HIV gp41. Nat.Immunol., 25, 2024
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5HSO
| Crystal structure of MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN Rv2887 complex with DNA | Descriptor: | DNA (30-MER), the upstream sequence of Rv0560c, Uncharacterized HTH-type transcriptional regulator Rv2887 | Authors: | Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. | Deposit date: | 2016-01-26 | Release date: | 2017-02-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
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8U03
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