7OZG
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![BU of 7ozg by Molmil](/molmil-images/mine/7ozg) | |
7P5H
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![BU of 7p5h by Molmil](/molmil-images/mine/7p5h) | TmHydABC- D2 map | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | Deposit date: | 2021-07-14 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase. Elife, 11, 2022
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7P8N
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![BU of 7p8n by Molmil](/molmil-images/mine/7p8n) | TmHydABC- T. maritima hydrogenase with bridge closed | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | Deposit date: | 2021-07-23 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase. Elife, 11, 2022
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7P91
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![BU of 7p91 by Molmil](/molmil-images/mine/7p91) | TmHydABC- T. maritima bifurcating hydrogenase with bridge domain closed | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Fe-hydrogenase, ... | Authors: | Furlan, C, Chongdar, N, Gupta, P, Lubitz, W, Ogata, H, Blaza, J.N, Birrell, J.A. | Deposit date: | 2021-07-23 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insight on the mechanism of an electron-bifurcating [FeFe] hydrogenase. Elife, 11, 2022
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7PMU
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![BU of 7pmu by Molmil](/molmil-images/mine/7pmu) | Crystal structure of native Iripin-8 | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ... | Authors: | Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A. | Deposit date: | 2021-09-02 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement. Int J Mol Sci, 22, 2021
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7PTH
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![BU of 7pth by Molmil](/molmil-images/mine/7pth) | |
7PTJ
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![BU of 7ptj by Molmil](/molmil-images/mine/7ptj) | |
7PEM
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![BU of 7pem by Molmil](/molmil-images/mine/7pem) | Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K. | Deposit date: | 2021-08-10 | Release date: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Substrate Transport and Specificity in a Phospholipid Flippase To Be Published
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7Q1L
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![BU of 7q1l by Molmil](/molmil-images/mine/7q1l) | Glycosilated Human Serum Apo-tranferrin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | Deposit date: | 2021-10-20 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin. Int J Mol Sci, 22, 2021
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5O6J
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![BU of 5o6j by Molmil](/molmil-images/mine/5o6j) | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031 | Descriptor: | 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | Authors: | Brannigan, J.A, Wilkinson, A.J. | Deposit date: | 2017-06-06 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus. Nat Chem, 10, 2018
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5O7I
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![BU of 5o7i by Molmil](/molmil-images/mine/5o7i) | ERK5 in complex with a pyrrole inhibitor | Descriptor: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7 | Authors: | Tucker, J.A, Heptinstall, A, Myers, S. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
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5O6H
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![BU of 5o6h by Molmil](/molmil-images/mine/5o6h) | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917 | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Brannigan, J.A, Wilkinson, A.J. | Deposit date: | 2017-06-06 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus. Nat Chem, 10, 2018
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5O48
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![BU of 5o48 by Molmil](/molmil-images/mine/5o48) | P.vivax NMT with an aminomethylindazole inhibitor bound | Descriptor: | 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | Authors: | Brannigan, J.A, Wilkinson, A.J. | Deposit date: | 2017-05-26 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus. Nat Chem, 10, 2018
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2ALD
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![BU of 2ald by Molmil](/molmil-images/mine/2ald) | HUMAN MUSCLE ALDOLASE | Descriptor: | FRUCTOSE-BISPHOSPHATE ALDOLASE | Authors: | Dalby, A.R, Littlechild, J.A. | Deposit date: | 1998-10-21 | Release date: | 1999-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications. Protein Sci., 8, 1999
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5O4V
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![BU of 5o4v by Molmil](/molmil-images/mine/5o4v) | P.vivax NMT with aminomethylindazole and quinoline inhibitors bound | Descriptor: | 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | Authors: | Brannigan, J.A, Wilkinson, A.J. | Deposit date: | 2017-05-31 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus. Nat Chem, 10, 2018
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5K97
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![BU of 5k97 by Molmil](/molmil-images/mine/5k97) | Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-05-31 | Release date: | 2017-06-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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4U87
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![BU of 4u87 by Molmil](/molmil-images/mine/4u87) | Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group) | Descriptor: | BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M. | Deposit date: | 2014-08-01 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158. Sci Rep, 6, 2016
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4UNR
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![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNQ
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![BU of 4unq by Molmil](/molmil-images/mine/4unq) | Mtb TMK in complex with compound 36 | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNP
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![BU of 4unp by Molmil](/molmil-images/mine/4unp) | Mtb TMK in complex with compound 34 | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNN
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![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-29 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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4UNS
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![BU of 4uns by Molmil](/molmil-images/mine/4uns) | Mtb TMK in complex with compound 40 | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | Deposit date: | 2014-05-30 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
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5KSE
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![BU of 5kse by Molmil](/molmil-images/mine/5kse) | Flap endonuclease 1 (FEN1) R100A with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*AP*AP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-07-08 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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1FOK
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![BU of 1fok by Molmil](/molmil-images/mine/1fok) | STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI BOUND TO DNA | Descriptor: | DNA (5'-D(*AP*TP*GP*AP*CP*TP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*T P*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*AP*G P*TP*CP*A)-3'), PROTEIN (FOKI RESTRICTION ENDONUCLEASE) | Authors: | Aggarwal, D.A, Wah, J.A, Hirsch, L.F, Dorner, I, Schildkraut, A.K. | Deposit date: | 1997-04-18 | Release date: | 1997-12-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the multimodular endonuclease FokI bound to DNA. Nature, 388, 1997
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8IJ8
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![BU of 8ij8 by Molmil](/molmil-images/mine/8ij8) | |