3NBV
 
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2YMV
 | | Structure of Reduced M Smegmatis 5246, a homologue of M.Tuberculosis Acg | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, ACG NITROREDUCTASE, ... | | Authors: | Chauviac, F.-X, Bommer, M, Dobbek, H, Keep, N.H. | | Deposit date: | 2012-10-10 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg.
J.Biol.Chem., 287, 2012
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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2Y69
 | | Bovine heart cytochrome c oxidase re-refined with molecular oxygen | | 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, CHOLIC ACID, ... | | Authors: | Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M. | | Deposit date: | 2011-01-20 | | Release date: | 2011-02-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase.
Biochim.Biophys.Acta, 1807, 2011
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6QG8
 | | Structure of human Bcl-2 in complex with PUMA BH3 peptide | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QHL
 | | 14-3-3 sigma with RelA/p65 binding site pS45 | | Descriptor: | 14-3-3 protein sigma, GLYCEROL, Transcription factor p65 | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-01-16 | | Release date: | 2020-05-13 | | Last modified: | 2020-12-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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2Y9J
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6QJV
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6KEB
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6QK1
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3N57
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6QKD
 | | CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085 | | Descriptor: | CHLORIDE ION, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ... | | Authors: | Kostareva, O.S, Kolyadenko, I.A, Ulitin, A.B, Ekimova, V.M, Evdokimov, S.R, Garber, M.B, Tishchenko, T.V, Gabdulkhakov, A.G. | | Deposit date: | 2019-01-29 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fab Fragment of VHH-Based Antibody Netakimab: Crystal Structure and Modeling Interaction with Cytokine IL-17A
Crystals, 2019
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3NMQ
 | | Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | | Authors: | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | | Deposit date: | 2010-06-22 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity.
J.Immunol., 186, 2011
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8B9N
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8B8O
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6QAX
 | | P31-43 | | Descriptor: | LEU-GLY-GLN-GLN-GLN-PRO-PHE-PRO-PRO-GLN-GLN-PRO-TYR | | Authors: | Calvanese, L, D'Auria, G, Falcigno, F. | | Deposit date: | 2018-12-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural insights on P31-43, a gliadin peptide able to promote an innate but not an adaptive response in celiac disease.
J.Pept.Sci., 25, 2019
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8BFW
 | | The structures of Ace2 in complex with bicyclic peptide inhibitor | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | Deposit date: | 2022-10-27 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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6QS5
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6QU7
 | | Crystal structure of human DHODH in complex with BAY 2402234 | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Friberg, A, Gradl, S. | | Deposit date: | 2019-02-26 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies.
Leukemia, 33, 2019
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2WB1
 | | The complete structure of the archaeal 13-subunit DNA-directed RNA Polymerase | | Descriptor: | DNA-DIRECTED RNA POLYMERASE RPO10 SUBUNIT, DNA-DIRECTED RNA POLYMERASE RPO11 SUBUNIT, DNA-DIRECTED RNA POLYMERASE RPO12 SUBUNIT, ... | | Authors: | Korkhin, Y, Unligil, U.M, Littlefield, O, Nelson, P.J, Stuart, D.I, Sigler, P.B, Bell, S.D, Abrescia, N.G.A. | | Deposit date: | 2009-02-19 | | Release date: | 2009-05-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Evolution of Complex RNA Polymerase: The Complete Archaeal RNA Polymerase Structure
Plos Biol., 7, 2009
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8BBI
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6QQD
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6QNW
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6QQF
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6QT1
 | | Radiation damage study on a 16mer DNA segment, structure at 0.48 MGy dose | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | | Deposit date: | 2019-02-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Radiation-damage investigation of a DNA 16-mer.
J.Synchrotron Radiat., 26, 2019
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