5V6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v6k by Molmil](/molmil-images/mine/5v6k) | Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae Bound to N-acetylglucosaminyl-beta-1,2-mannose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, GLYCEROL, Hemolysin-related protein | Authors: | De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R. | Deposit date: | 2017-03-16 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins. PLoS Pathog., 14, 2018
|
|
5V91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v91 by Molmil](/molmil-images/mine/5v91) | Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae | Descriptor: | Fosfomycin resistance protein, ZINC ION | Authors: | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | Deposit date: | 2017-03-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
|
|
5VB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vb7 by Molmil](/molmil-images/mine/5vb7) | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
|
|
5UII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uii by Molmil](/molmil-images/mine/5uii) | |
5V2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v2l by Molmil](/molmil-images/mine/5v2l) | |
5V3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v3q by Molmil](/molmil-images/mine/5v3q) | Human GSTO1-1 complexed with ML175 | Descriptor: | Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION | Authors: | Oakley, A.J. | Deposit date: | 2017-03-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity. Sci Rep, 7, 2017
|
|
5V6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v6f by Molmil](/molmil-images/mine/5v6f) | Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae bound to Mannotriose | Descriptor: | Hemolysin-related protein, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose | Authors: | De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R. | Deposit date: | 2017-03-16 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins. PLoS Pathog., 14, 2018
|
|
5VB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vb6 by Molmil](/molmil-images/mine/5vb6) | |
5UIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uih by Molmil](/molmil-images/mine/5uih) | |
5V61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v61 by Molmil](/molmil-images/mine/5v61) | Phospho-ERK2 bound to bivalent inhibitor SBP2 | Descriptor: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
5VB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vb0 by Molmil](/molmil-images/mine/5vb0) | Crystal structure of fosfomycin resistance protein FosA3 | Descriptor: | Fosfomycin resistance protein FosA3, MANGANESE (II) ION, NICKEL (II) ION | Authors: | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | Deposit date: | 2017-03-28 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.689 Å) | Cite: | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
|
|
5V2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v2a by Molmil](/molmil-images/mine/5v2a) | Crystal structure of Fab H7.167 in complex with influenza virus hemagglutinin from A/Shanghai/02/2013 (H7N9) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H7.167 antibody, Hemagglutinin, ... | Authors: | Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2017-03-03 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.656 Å) | Cite: | H7N9 influenza virus neutralizing antibodies that possess few somatic mutations. J. Clin. Invest., 126, 2016
|
|
5V3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v3d by Molmil](/molmil-images/mine/5v3d) | Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FOSFOMYCIN, ... | Authors: | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | Deposit date: | 2017-03-07 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.539 Å) | Cite: | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
|
|
5UL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ul5 by Molmil](/molmil-images/mine/5ul5) | Crystal structure of RPE65 in complex with MB-004 and palmitate | Descriptor: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ... | Authors: | Kiser, P.D, Palczewski, K. | Deposit date: | 2017-01-24 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Tuning of Visual Cycle Modulator Pharmacodynamics. J. Pharmacol. Exp. Ther., 362, 2017
|
|
5US1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5us1 by Molmil](/molmil-images/mine/5us1) | Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ... | Authors: | Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-13 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes. ACS Infect Dis, 4, 2018
|
|
5V6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v6c by Molmil](/molmil-images/mine/5v6c) | Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae | Descriptor: | GLYCEROL, Hemolysin-related protein | Authors: | De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R. | Deposit date: | 2017-03-16 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins. PLoS Pathog., 14, 2018
|
|
5ULG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ulg by Molmil](/molmil-images/mine/5ulg) | |
5TSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tsy by Molmil](/molmil-images/mine/5tsy) | |
5U2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u2b by Molmil](/molmil-images/mine/5u2b) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide | Descriptor: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor | Authors: | Nwachukwu, J.C, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-11-30 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells. Mol. Cell, 65, 2017
|
|
5TZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tzr by Molmil](/molmil-images/mine/5tzr) | GPR40 in complex with partial agonist MK-8666 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | Deposit date: | 2016-11-22 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40. Nat. Struct. Mol. Biol., 24, 2017
|
|
5U3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u3f by Molmil](/molmil-images/mine/5u3f) | Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase | Authors: | Favrot, L, Amorim Franco, T.M, Blanchard, J.S. | Deposit date: | 2016-12-02 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine. ACS Chem. Biol., 12, 2017
|
|
5U58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u58 by Molmil](/molmil-images/mine/5u58) | Psf4 in complex with Fe2+ and (R)-2-HPP | Descriptor: | (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2016-12-06 | Release date: | 2017-01-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
|
|
5UZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uzj by Molmil](/molmil-images/mine/5uzj) | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | Descriptor: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2017-02-26 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
|
|
5V62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v62 by Molmil](/molmil-images/mine/5v62) | Phospho-ERK2 bound to bivalent inhibitor SBP3 | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
5VB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vb5 by Molmil](/molmil-images/mine/5vb5) | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide | Descriptor: | N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
|
|