2HZB
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![BU of 2hzb by Molmil](/molmil-images/mine/2hzb) | X-Ray Crystal Structure of Protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60. | Descriptor: | Hypothetical UPF0052 protein BH3568 | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Benach, J, Shastry, R, Conover, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-08-08 | Release date: | 2006-08-22 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray structure of the hypothetical UPF0052 protein BH3568 from Bacillus halodurans. Northeast Structural Genomics Consortium BhR60. To be Published
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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4ADO
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![BU of 4ado by Molmil](/molmil-images/mine/4ado) | Fusidic acid resistance protein FusB | Descriptor: | FAR1, ZINC ION | Authors: | Guo, X, Peisker, K, Backbro, K, Chen, Y, Kiran, R.K, Sanyal, S, Selmer, M. | Deposit date: | 2011-12-31 | Release date: | 2012-03-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Function of Fusb: An Elongation Factor G-Binding Fusidic Acid Resistance Protein Active in Ribosomal Translocation and Recycling Open Biol., 2, 2012
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6BU3
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![BU of 6bu3 by Molmil](/molmil-images/mine/6bu3) | |
3ZTE
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![BU of 3zte by Molmil](/molmil-images/mine/3zte) | |
3ZNC
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![BU of 3znc by Molmil](/molmil-images/mine/3znc) | MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION | Authors: | Stams, T, Chen, Y, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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2KGP
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![BU of 2kgp by Molmil](/molmil-images/mine/2kgp) | Structural basis for stabilization of the tau pre-mRNA splicing regulatory element by Novantrone (Mitoxantrone) | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, RNA (25-MER) | Authors: | Zheng, S, Chen, Y, Donahue, C.P, Wolfe, M.S, Varani, G. | Deposit date: | 2009-03-13 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for stabilization of the tau pre-mRNA splicing regulatory element by novantrone (mitoxantrone). Chem.Biol., 16, 2009
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3ZZT
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![BU of 3zzt by Molmil](/molmil-images/mine/3zzt) | |
3V0U
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![BU of 3v0u by Molmil](/molmil-images/mine/3v0u) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
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6D1B
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![BU of 6d1b by Molmil](/molmil-images/mine/6d1b) | Crystal structure of NDM-1 complexed with compound 2 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1H
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![BU of 6d1h by Molmil](/molmil-images/mine/6d1h) | Crystal structure of NDM-1 complexed with compound 11 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D15
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![BU of 6d15 by Molmil](/molmil-images/mine/6d15) | Crystal structure of KPC-2 complexed with compound 1 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1F
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![BU of 6d1f by Molmil](/molmil-images/mine/6d1f) | Crystal structure of NDM-1 complexed with compound 8 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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3KVP
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![BU of 3kvp by Molmil](/molmil-images/mine/3kvp) | Crystal Structure of Uncharacterized protein ymzC Precursor from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR378A | Descriptor: | ACETIC ACID, Uncharacterized protein ymzC | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Afonine, P, Fang, F, Xiao, R, Cunningham, K, Ma, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-11-30 | Release date: | 2010-02-02 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Northeast Structural Genomics Consortium Target SR378A To be Published
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7XBK
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![BU of 7xbk by Molmil](/molmil-images/mine/7xbk) | Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ... | Authors: | Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N. | Deposit date: | 2022-03-21 | Release date: | 2023-01-25 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization. Plos Biol., 21, 2023
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6D1E
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![BU of 6d1e by Molmil](/molmil-images/mine/6d1e) | Crystal structure of NDM-1 complexed with compound 7 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1K
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3ZZU
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![BU of 3zzu by Molmil](/molmil-images/mine/3zzu) | |
6CSV
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![BU of 6csv by Molmil](/molmil-images/mine/6csv) | The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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6D16
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![BU of 6d16 by Molmil](/molmil-images/mine/6d16) | Crystal structure of KPC-2 complexed with compound 2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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2H3R
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![BU of 2h3r by Molmil](/molmil-images/mine/2h3r) | Crystal structure of ORF52 from Murid herpesvirus 4 (MuHV-4) (Murine gammaherpesvirus 68). Northeast Structural Genomics Consortium target MhR28B. | Descriptor: | Hypothetical protein BQLF2 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-23 | Release date: | 2006-08-15 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of ORF52 from Murid herpesvirus 4 (MuHV-4) (Murine gammaherpesvirus 68). Northeast Structural Genomics Consortium target MhR28B. To be Published
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6D1C
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![BU of 6d1c by Molmil](/molmil-images/mine/6d1c) | Crystal structure of NDM-1 complexed with compound 3 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1G
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![BU of 6d1g by Molmil](/molmil-images/mine/6d1g) | Crystal structure of NDM-1 complexed with compound 9 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6K5E
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![BU of 6k5e by Molmil](/molmil-images/mine/6k5e) | Crystal structure of BioH from Klebsiella pneumonia | Descriptor: | Pimeloyl-[acyl-carrier protein] methyl ester esterase | Authors: | Wang, L, Chen, Y. | Deposit date: | 2019-05-28 | Release date: | 2019-07-17 | Last modified: | 2020-05-06 | Method: | X-RAY DIFFRACTION (2.257 Å) | Cite: | Structural insight into the carboxylesterase BioH from Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 520, 2019
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6D1J
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![BU of 6d1j by Molmil](/molmil-images/mine/6d1j) | Crystal structure of NDM-1 complexed with compound 13 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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