1JCE
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7SLY
| Vanin-1 complexed with Compound 27 | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | Authors: | Vajdos, F.F. | Deposit date: | 2021-10-25 | Release date: | 2022-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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1SGT
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5ICA
| Structure of the CTD complex of UTP12, Utp13, Utp1 and Utp21 | Descriptor: | Periodic tryptophan protein 2-like protein, Putative U3 snoRNP protein, Putative uncharacterized protein | Authors: | Zhang, C, Ye, K. | Deposit date: | 2016-02-23 | Release date: | 2016-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.507 Å) | Cite: | Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits Nucleic Acids Res., 44, 2016
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1J9H
| Crystal Structure of an RNA Duplex with Uridine Bulges | Descriptor: | 5'-R(*GP*UP*GP*UP*CP*GP*(CBR)P*AP*C)-3', CALCIUM ION | Authors: | Xiong, Y, Deng, J, Sudarsanakumar, C, Sundaralingam, M. | Deposit date: | 2001-05-25 | Release date: | 2001-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an RNA duplex r(gugucgcac)(2) with uridine bulges. J.Mol.Biol., 313, 2001
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1SH9
| Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | Descriptor: | POL polyprotein, RITONAVIR | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, McKenna, R, Abanje-McKenna, M, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2004-02-25 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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6Q7B
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.009 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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7T36
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5ICP
| CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-23 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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4KO0
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | Authors: | Das, K, Bauman, J.D, Arnold, E. | Deposit date: | 2013-05-10 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
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3MMG
| Crystal structure of tobacco vein mottling virus protease | Descriptor: | FORMIC ACID, Nuclear inclusion protein A, Nuclear inclusion protein B fragment | Authors: | Ping, S, Austin, B.P, Tozser, J, Waugh, D.S. | Deposit date: | 2010-04-19 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural determinants of tobacco vein mottling virus protease substrate specificity. Protein Sci., 19, 2010
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5IAJ
| Caspase 3 V266L | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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1J9W
| Solution Structure of the CAI Michigan 1 Variant | Descriptor: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION | Authors: | Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | Deposit date: | 2001-05-29 | Release date: | 2001-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination. Biochemistry, 41, 2002
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7SLZ
| CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596 | Descriptor: | Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide | Authors: | Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-10-25 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596 To Be Published
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1SF9
| Crystal Structure of Bacillus subtilis YfhH Protein : Putative Transcriptional Regulator | Descriptor: | CHLORIDE ION, PLATINUM (II) ION, yfhH hypothetical protein | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kim, D.E, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-02-19 | Release date: | 2004-02-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structure of Bacillus Subtilis YfhH hypothetical protein To be Published
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6Q7I
| GH3 exo-beta-xylosidase (XlnD) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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3MMO
| Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with cyanide | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Tikhonova, T.V, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | Deposit date: | 2010-04-20 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of complexes of octahaem cytochrome c nitrite reductase from Thioalkalivibrio nitratireducens with sulfite and cyanide. Acta Crystallogr.,Sect.D, 66, 2010
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7SZH
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5IAX
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1SFK
| Core (C) protein from West Nile Virus, subtype Kunjin | Descriptor: | CALCIUM ION, CHLORIDE ION, Core protein, ... | Authors: | Dokland, T, Walsh, M, Mackenzie, J.M, Khromykh, A.A, Ee, K.-H, Wang, S. | Deposit date: | 2004-02-19 | Release date: | 2004-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | West nile virus core protein; tetramer structure and ribbon formation Structure, 12, 2004
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6Q7S
| ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-13 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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3DJ9
| Crystal Structure of an isolated, unglycosylated antibody CH2 domain | Descriptor: | Ig gamma-1 chain C region | Authors: | Prabakaran, P, Vu, B.K, Gan, J, Dimitrov, D.S, Ji, X. | Deposit date: | 2008-06-22 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of an isolated unglycosylated antibody C(H)2 domain. Acta Crystallogr.,Sect.D, 64, 2008
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1JA8
| Kinetic Analysis of Product Inhibition in Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Manganese Superoxide Dismutase, SULFATE ION | Authors: | Hearn, A.S, Stroupe, M.E, Cabelli, D.E, Lepock, J.R, Tainer, J.A, Nick, H.S, Silverman, D.S. | Deposit date: | 2001-05-29 | Release date: | 2001-06-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Kinetic analysis of product inhibition in human manganese superoxide dismutase. Biochemistry, 40, 2001
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3MNF
| Crystal structure of PAC2 family protein from Streptomyces avermitilis MA | Descriptor: | CHLORIDE ION, PAC2 family protein | Authors: | Chang, C, Hatzos, C, Morgan, T, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-21 | Release date: | 2010-05-05 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Crystal structure of PAC2 family protein from Streptomyces avermitilis MA To be Published
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1SG0
| Crystal structure analysis of QR2 in complex with resveratrol | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, RESVERATROL, ... | Authors: | Buryanovskyy, L, Fu, Y, Boyd, M, Ma, Y, Tsieh, T.C, Wu, J.M, Zhang, Z. | Deposit date: | 2004-02-22 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of quinone reductase 2 in complex with resveratrol Biochemistry, 43, 2004
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