8I83
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1MZY
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![BU of 1mzy by Molmil](/molmil-images/mine/1mzy) | Crystal Structure of Nitrite Reductase | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MAGNESIUM ION | Authors: | Guo, H, Olesen, K, Xue, Y, Shapliegh, J, Sjolin, L. | Deposit date: | 2002-10-10 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The High resolution Crystal Structures of Nitrite Reductase and its mutant Met182Thr from Rhodobacter Sphaeroides Reveal a Gating Mechanism for the Electron Transfer to the Type 1 Copper Center To be Published
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6DU3
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![BU of 6du3 by Molmil](/molmil-images/mine/6du3) | Structure of Scp1 D96N bound to REST-pS861/4 peptide | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION, REST-pS861 | Authors: | Burkholder, N.T, Mayfield, J.E, Yu, X, Irani, S, Arce, D.K, Jiang, F, Matthews, W, Xue, Y, Zhang, Y.J. | Deposit date: | 2018-06-19 | Release date: | 2018-09-26 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Phosphatase activity of small C-terminal domain phosphatase 1 (SCP1) controls the stability of the key neuronal regulator RE1-silencing transcription factor (REST). J. Biol. Chem., 293, 2018
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1Q09
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![BU of 1q09 by Molmil](/molmil-images/mine/1q09) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group I4122) | Descriptor: | SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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2YOQ
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![BU of 2yoq by Molmil](/molmil-images/mine/2yoq) | Structure of FAM3B PANDER E30 construct | Descriptor: | GLYCEROL, PROTEIN FAM3B | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | Deposit date: | 2012-10-26 | Release date: | 2013-01-30 | Last modified: | 2013-02-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
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1OPS
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![BU of 1ops by Molmil](/molmil-images/mine/1ops) | ICE-BINDING SURFACE ON A TYPE III ANTIFREEZE PROTEIN FROM OCEAN POUT | Descriptor: | TYPE III ANTIFREEZE PROTEIN | Authors: | Yang, D.S.C, Hon, W.-C, Bubanko, S, Xue, Y, Seetharaman, J, Hew, C.L, Sicheri, F. | Deposit date: | 1997-11-17 | Release date: | 1998-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of the ice-binding surface on a type III antifreeze protein with a "flatness function" algorithm. Biophys.J., 74, 1998
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1Q06
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![BU of 1q06 by Molmil](/molmil-images/mine/1q06) | Crystal structure of the Ag(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | SILVER ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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4IXL
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![BU of 4ixl by Molmil](/molmil-images/mine/4ixl) | Crystal structure of endo-beta-1,4-xylanase from the alkaliphilic Bacillus sp. SN5 | Descriptor: | SULFATE ION, xylanase | Authors: | Bai, W.Q, Xue, Y.F, Huang, J.X, Zhou, C, Guo, R.T, Ma, Y.H. | Deposit date: | 2013-01-26 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure Analysis of Alkaline xylanase from Alkaliphilic Bacillus sp. SN5 Implications for pH-dependent enzyme activity To be Published
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1Q08
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![BU of 1q08 by Molmil](/molmil-images/mine/1q08) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator, at 1.9 A resolution (space group P212121) | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q05
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![BU of 1q05 by Molmil](/molmil-images/mine/1q05) | Crystal structure of the Cu(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | COPPER (I) ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q07
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![BU of 1q07 by Molmil](/molmil-images/mine/1q07) | Crystal structure of the Au(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | GOLD ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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7EGR
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![BU of 7egr by Molmil](/molmil-images/mine/7egr) | Co-crystal structure of Ac-AChBPP in complex with RgIA | Descriptor: | MAGNESIUM ION, RgIA, Soluble acetylcholine receptor | Authors: | Wang, X.Q, Pan, S, Fan, Y.X, Xue, Y, Zhu, X.P, Luo, S.L. | Deposit date: | 2021-03-26 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Co-crystal structure of Ac-AChBPP in complex with RgIA To Be Published
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4NY4
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![BU of 4ny4 by Molmil](/molmil-images/mine/4ny4) | Crystal structure of CYP3A4 in complex with an inhibitor | Descriptor: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Branden, G, Sjogren, T, Xue, Y. | Deposit date: | 2013-12-10 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19, 2014
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3S0X
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3JUG
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3HWP
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![BU of 3hwp by Molmil](/molmil-images/mine/3hwp) | Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PhlG, ... | Authors: | He, Y.-X, Huang, L, Xue, Y, Fei, X, Teng, Y.-B, Zhou, C.-Z. | Deposit date: | 2009-06-18 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens. J.Biol.Chem., 285, 2010
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1CAY
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![BU of 1cay by Molmil](/molmil-images/mine/1cay) | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | Descriptor: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | Authors: | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | Deposit date: | 1993-02-26 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate. Acta Crystallogr.,Sect.D, 50, 1994
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1CAZ
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![BU of 1caz by Molmil](/molmil-images/mine/1caz) | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | Descriptor: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | Authors: | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | Deposit date: | 1993-02-26 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate. Acta Crystallogr.,Sect.D, 50, 1994
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4NZ2
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![BU of 4nz2 by Molmil](/molmil-images/mine/4nz2) | Crystal structure of CYP2C9 in complex with an inhibitor | Descriptor: | (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ... | Authors: | Branden, G, Sjogren, T, Xue, Y. | Deposit date: | 2013-12-11 | Release date: | 2014-08-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19, 2014
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3VMV
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![BU of 3vmv by Molmil](/molmil-images/mine/3vmv) | Crystal structure of pectate lyase Bsp165PelA from Bacillus sp. N165 | Descriptor: | Pectate lyase, SULFATE ION | Authors: | Zheng, Y, Huang, C.H, Liu, W, Ko, T.P, Xue, Y, Zhou, C, Zhang, G, Guo, R.T, Ma, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure and substrate-binding mode of a novel pectate lyase from alkaliphilic Bacillus sp. N16-5. Biochem.Biophys.Res.Commun., 420, 2012
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3VMW
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![BU of 3vmw by Molmil](/molmil-images/mine/3vmw) | Crystal structure of pectate lyase Bsp165PelA from Bacillus sp. N165 in complex with trigalacturonate | Descriptor: | Pectate lyase, SULFATE ION, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | Authors: | Zheng, Y, Huang, C.H, Liu, W, Ko, T.P, Xue, Y, Zhou, C, Zhang, G, Guo, R.T, Ma, Y. | Deposit date: | 2011-12-17 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure and substrate-binding mode of a novel pectate lyase from alkaliphilic Bacillus sp. N16-5. Biochem.Biophys.Res.Commun., 420, 2012
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4ACM
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![BU of 4acm by Molmil](/molmil-images/mine/4acm) | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | Authors: | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | Deposit date: | 2011-12-16 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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2FUL
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![BU of 2ful by Molmil](/molmil-images/mine/2ful) | Crystal Structure of the C-terminal Domain of S. cerevisiae eIF5 | Descriptor: | Eukaryotic translation initiation factor 5, SULFATE ION | Authors: | Wei, Z, Xue, Y, Xu, H, Gong, W. | Deposit date: | 2006-01-27 | Release date: | 2006-05-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the C-terminal Domain of S.cerevisiae eIF5 J.Mol.Biol., 359, 2006
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5ALD
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![BU of 5ald by Molmil](/molmil-images/mine/5ald) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexyl-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AIA
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![BU of 5aia by Molmil](/molmil-images/mine/5aia) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-cyclohexyl-2-hydroxybenzoate, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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