4BVV
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![BU of 4bvv by Molmil](/molmil-images/mine/4bvv) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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4BVW
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![BU of 4bvw by Molmil](/molmil-images/mine/4bvw) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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1C76
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![BU of 1c76 by Molmil](/molmil-images/mine/1c76) | STAPHYLOKINASE (SAK) MONOMER | Descriptor: | STAPHYLOKINASE | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | Deposit date: | 2000-02-01 | Release date: | 2000-08-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Staphylokinase Dimer Offers New Clue to Reduction of Immunogenicity To be published
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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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3ZZT
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![BU of 3zzt by Molmil](/molmil-images/mine/3zzt) | |
3ZZU
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![BU of 3zzu by Molmil](/molmil-images/mine/3zzu) | |
2B34
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![BU of 2b34 by Molmil](/molmil-images/mine/2b34) | Structure of MAR1 Ribonuclease from Caenorhabditis elegans | Descriptor: | MAR1 Ribonuclease | Authors: | Schormann, N, Karpova, E, Li, S, Symersky, J, Zhang, Y, Lu, S, Zhou, Q, Lin, G, Cao, Z, Luo, M, Qiu, S, Luan, C.-H, Luo, D, Huang, W, Shang, Q, McKinstry, A, An, J, Tsao, J, Carson, M, Stinnett, M, Chen, Y, Johnson, D, Gary, R, Arabshahi, A, Bunzel, R, Bray, T, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-09-19 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structure of MAR1 Ribonuclease from Caenorhabditis elegans To be Published
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5XU0
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![BU of 5xu0 by Molmil](/molmil-images/mine/5xu0) | Structure of the membrane fusion protein Spr0693 from Streptococcus pneumoniae R6 | Descriptor: | Membrane-fusion protein | Authors: | Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z. | Deposit date: | 2017-06-22 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of a MacAB-like efflux pump from Streptococcus pneumoniae. Nat Commun, 9, 2018
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4BV5
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![BU of 4bv5 by Molmil](/molmil-images/mine/4bv5) | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | Descriptor: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | Deposit date: | 2013-06-25 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A) To be Published
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3ZZ0
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![BU of 3zz0 by Molmil](/molmil-images/mine/3zz0) | |
4ADN
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![BU of 4adn by Molmil](/molmil-images/mine/4adn) | Fusidic acid resistance protein FusB | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FAR1, ... | 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 (1.65 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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4DDS
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![BU of 4dds by Molmil](/molmil-images/mine/4dds) | CTX-M-9 class A beta-lactamase complexed with compound 11 | Descriptor: | 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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4DE0
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![BU of 4de0 by Molmil](/molmil-images/mine/4de0) | CTX-M-9 class A beta-lactamase complexed with compound 16 | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide | Authors: | Nichols, D.N, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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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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8W68
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![BU of 8w68 by Molmil](/molmil-images/mine/8w68) | Crystal structure of Q9PR55 at pH 6.0 (use NMR model) | Descriptor: | Uncharacterized protein UU089.1 | Authors: | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | Deposit date: | 2023-08-28 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot. J.Biol.Chem., 300, 2023
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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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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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![BU of 6d1k by Molmil](/molmil-images/mine/6d1k) | |
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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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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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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6D17
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![BU of 6d17 by Molmil](/molmil-images/mine/6d17) | Crystal structure of KPC-2 complexed with compound 3 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-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 (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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