3W0H
 
 | | Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | | Descriptor: | (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | | Deposit date: | 2012-10-30 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
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5ND7
 | | Microtubule-bound MKLP2 motor domain in the presence of AMPPNP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | | Deposit date: | 2017-03-07 | | Release date: | 2017-10-04 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
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4JRW
 | | Crystal structure of Clostridium histolyticum colg collagenase PKD domain 2 at 1.6 Angstrom resolution | | Descriptor: | BROMIDE ION, Collagenase | | Authors: | Sakon, J, Philominathan, S.T.L, Gann, S, Bauer, R, Matsushita, O. | | Deposit date: | 2013-03-22 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
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3W0G
 | | Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | | Descriptor: | (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | | Deposit date: | 2012-10-30 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
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6SAT
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5AGX
 | | Bcl-2 alpha beta-1 LINEAR complex | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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6JWJ
 | | Npl4 in complex with Ufd1 | | Descriptor: | GLYCEROL, Nuclear protein localization protein 4, Peptide from Ubiquitin fusion degradation protein 1, ... | | Authors: | Sato, Y, Fukai, S. | | Deposit date: | 2019-04-20 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural insights into ubiquitin recognition and Ufd1 interaction of Npl4.
Nat Commun, 10, 2019
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3W0J
 | | Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | | Descriptor: | (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor | | Authors: | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | | Deposit date: | 2012-10-30 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
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5ZQL
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1MQZ
 | | NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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6SC8
 | | dAb3/HOIP-RBR-Ligand4 | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6SFJ
 | | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6SGR
 | | Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with cardiolipin | | Descriptor: | DARPin, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrB | | Authors: | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | | Deposit date: | 2019-08-05 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
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6SC7
 | | dAb3/HOIP-RBR-Ligand3 | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6SHW
 | | N-terminal domain of Drosophila X Virus VP3 | | Descriptor: | SULFATE ION, Structural polyprotein | | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | | Deposit date: | 2019-08-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein.
J.Virol., 2020
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6SID
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6K4S
 | | Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-targeted DNA, sgRNA, ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-26 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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5OR8
 | | Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide | | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | | Deposit date: | 2017-08-15 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
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5ADQ
 | | Crystal structure of human tankyrase 2 in complex with JW55 | | Descriptor: | BICARBONATE ION, GLYCEROL, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5AFQ
 | | Crystal structure of RPC62 - RPC32 beta | | Descriptor: | DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC3, RPC32 BETA (RPC7L) | | Authors: | Fribourg, S. | | Deposit date: | 2015-01-23 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (7 Å) | | Cite: | Structural Analysis of Human Rpc32Beta - Rpc62 Complex.
J.Struct.Biol., 192, 2015
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1MQY
 | | NMR solution structure of type-B lantibiotics mersacidin in DPC micelles | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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6SI6
 | | N-terminal domain of Drosophila X virus VP3 | | Descriptor: | GLYCEROL, IMIDAZOLE, Structural polyprotein | | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | | Deposit date: | 2019-08-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein.
J.Virol., 2020
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4BVY
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6SO2
 | | Fragment N13460a in complex with MAP kinase p38-alpha | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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4BUS
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | | Descriptor: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
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