7DBC
 
 | | PRA in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PRA in complex with tubulin
To Be Published
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7DBB
 | | SSE in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | SSE in complex with tubulin
To Be Published
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3HEK
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7DB9
 | | IC1 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | IC1 in complex with tubulin
To Be Published
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7DBA
 | | RYX in complex with tubulin | | Descriptor: | 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.461 Å) | | Cite: | RYX in complex with tubulin
To Be Published
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5MC2
 | | Crystal Structure of Gly278Asp mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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3HGR
 | | Crystal structure of tomato OPR1 in complex with pHB | | Descriptor: | 12-oxophytodienoate reductase 1, FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZOIC ACID | | Authors: | Clausen, T, Breithaupt, C. | | Deposit date: | 2009-05-14 | | Release date: | 2009-08-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of substrate specificity of plant 12-oxophytodienoate reductases.
J.Mol.Biol., 392, 2009
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1AQP
 | | RIBONUCLEASE A COPPER COMPLEX | | Descriptor: | COPPER (II) ION, RIBONUCLEASE A | | Authors: | Ramasubbu, N. | | Deposit date: | 1997-07-31 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the copper and nickel complexes of RNase A: metal-induced interprotein interactions and identification of a novel copper binding motif.
Proc.Natl.Acad.Sci.USA, 94, 1997
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8R6Q
 | | Co-crystal structure of PD-L1 with low molecular weight inhibitor | | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | Authors: | Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | | Deposit date: | 2023-11-22 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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8QJT
 | | BRM (SMARCA2) Bromodomain in complex with ligand 10 | | Descriptor: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.568 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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5MC0
 | | Crystal Structure of delTyr231 mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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1C8W
 | | THR45GLY VARIANT OF RIBONUCLEASE A | | Descriptor: | ACETATE ION, CHLORIDE ION, PROTEIN (Ribonuclease A) | | Authors: | Kelemen, B.R, Sweeney, R.T, Schultz, L.W, Raines, R.T. | | Deposit date: | 1999-07-30 | | Release date: | 2002-05-01 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Excavating an active site: the nucleobase specificity of ribonuclease A.
Biochemistry, 39, 2000
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5XO8
 | | Crystal structure of a novel ZEN lactonase mutant with ligand Z | | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein | | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-05-27 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
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6KPP
 | | BNC105 in complex with tubulin | | Descriptor: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, T, Wu, C, Pu, D. | | Deposit date: | 2019-08-15 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.74524117 Å) | | Cite: | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
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3G49
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1J5D
 | | SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803-MINIMIZED AVERAGE STRUCTURE | | Descriptor: | COPPER (II) ION, PLASTOCYANIN | | Authors: | Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J. | | Deposit date: | 2002-04-02 | | Release date: | 2002-04-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803.
J.Am.Chem.Soc., 123, 2001
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6YMB
 | | MicroED structure of human carbonic anhydrase II | | Descriptor: | ZINC ION, carbonic anhydrase 2 | | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
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3G03
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6OYV
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3T6R
 | | Structure of UHRF1 in complex with unmodified H3 N-terminal tail | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Histone H3.1t N-terminal peptide, MAGNESIUM ION, ... | | Authors: | Xie, S, Jakoncic, J, Qian, C.M. | | Deposit date: | 2011-07-29 | | Release date: | 2011-11-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail
J.Mol.Biol., 415, 2012
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7RNM
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide | | Descriptor: | 2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | | Deposit date: | 2021-07-29 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines
Helv.Chim.Acta, 106, 2023
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8SHH
 | | Crystal structure of EvdS6 decarboxylase in ligand free state | | Descriptor: | DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-glucose 4,6-dehydratase | | Authors: | Sharma, P, Frigo, L, Dulin, C.C, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2023-04-14 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | EvdS6 is a bifunctional decarboxylase from the everninomicin gene cluster.
J.Biol.Chem., 299, 2023
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8SK0
 | | Crystal structure of EvdS6 decarboxylase in ligand bound state | | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sharma, P, Frigo, L, Dulin, C.C, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2023-04-18 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | EvdS6 is a bifunctional decarboxylase from the everninomicin gene cluster.
J.Biol.Chem., 299, 2023
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5XNT
 | | Structure of CYP106A2 from Bacillus sp. PAMC 23377 | | Descriptor: | Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H. | | Deposit date: | 2017-05-24 | | Release date: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377.
J. Microbiol. Biotechnol., 27, 2017
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5XO7
 | | Crystal structure of a novel ZEN lactonase mutant with ligand a | | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein | | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-05-27 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
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