1M4N
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![BU of 1m4n by Molmil](/molmil-images/mine/1m4n) | CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH [2-(AMINO-OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM | Descriptor: | (2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM, 1-aminocyclopropane-1-carboxylate synthase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Capitani, G, Eliot, A.C, Gut, H, Khomutov, R.M, Kirsch, J.F, Grutter, M.G. | Deposit date: | 2002-07-03 | Release date: | 2003-04-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of 1-aminocyclopropane-1-carboxylate synthase in complex with an amino-oxy analogue of the substrate: implications for substrate binding. BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
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2FTD
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![BU of 2ftd by Molmil](/molmil-images/mine/2ftd) | Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound | Descriptor: | Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE | Authors: | Yamashita, D.S, Baoguang, Z. | Deposit date: | 2006-01-24 | Release date: | 2007-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J.Med.Chem., 49, 2006
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7AFZ
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![BU of 7afz by Molmil](/molmil-images/mine/7afz) | L1 metallo-b-lactamase with compound EBL-1306 | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | Deposit date: | 2020-09-21 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors. Nat.Chem., 14, 2022
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7AQX
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![BU of 7aqx by Molmil](/molmil-images/mine/7aqx) | |
7AQY
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![BU of 7aqy by Molmil](/molmil-images/mine/7aqy) | |
7AR0
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7AQZ
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![BU of 7aqz by Molmil](/molmil-images/mine/7aqz) | Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB14) | Descriptor: | CITRIC ACID, Nanobody VSG2(NB14), SODIUM ION, ... | Authors: | Stebbins, C.E, Hempelmann, A, VanStraaten, M. | Deposit date: | 2020-10-23 | Release date: | 2021-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome. Cell Rep, 37, 2021
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7ADW
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![BU of 7adw by Molmil](/molmil-images/mine/7adw) | Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone. | Descriptor: | 2-methyl-1-(4-methylphenyl)propan-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5YRR
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![BU of 5yrr by Molmil](/molmil-images/mine/5yrr) | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Bairagya, H.R, Gupta, A, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-11-09 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution To Be Published
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1OVO
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![BU of 1ovo by Molmil](/molmil-images/mine/1ovo) | CRYSTALLOGRAPHIC REFINEMENT OF JAPANESE QUAIL OVOMUCOID, A KAZAL-TYPE INHIBITOR, AND MODEL BUILDING STUDIES OF COMPLEXES WITH SERINE PROTEASES | Descriptor: | OVOMUCOID THIRD DOMAIN | Authors: | Weber, E, Papamokos, E, Bode, W, Huber, R, Kato, I, Laskowskijunior, M. | Deposit date: | 1982-01-18 | Release date: | 1982-05-26 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic refinement of Japanese quail ovomucoid, a Kazal-type inhibitor, and model building studies of complexes with serine proteases. J.Mol.Biol., 158, 1982
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5WI1
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8E7Q
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![BU of 8e7q by Molmil](/molmil-images/mine/8e7q) | Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid | Descriptor: | (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2022-08-24 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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5Z1M
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![BU of 5z1m by Molmil](/molmil-images/mine/5z1m) | Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-12-26 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution To Be Published
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1ODC
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![BU of 1odc by Molmil](/molmil-images/mine/1odc) | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-02-15 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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7AWU
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![BU of 7awu by Molmil](/molmil-images/mine/7awu) | Structure of SARS-CoV-2 Main Protease bound to LSN2463359. | Descriptor: | 3C-like proteinase, CHLORIDE ION, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | Authors: | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5WI0
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2AFE
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![BU of 2afe by Molmil](/molmil-images/mine/2afe) | Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence | Descriptor: | protein Asl1650 | Authors: | Johnson, M.A, Peti, W, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2005-07-25 | Release date: | 2005-08-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence Protein Sci., 15, 2006
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5ZZC
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![BU of 5zzc by Molmil](/molmil-images/mine/5zzc) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-05-31 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94 A resolution To Be Published
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6A75
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![BU of 6a75 by Molmil](/molmil-images/mine/6a75) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-02 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution To Be Published
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2AFD
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![BU of 2afd by Molmil](/molmil-images/mine/2afd) | Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence | Descriptor: | protein Asl1650 | Authors: | Johnson, M.A, Peti, W, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2005-07-25 | Release date: | 2005-08-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence Protein Sci., 15, 2006
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6A7D
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![BU of 6a7d by Molmil](/molmil-images/mine/6a7d) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-02 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution To Be Published
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6A6D
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![BU of 6a6d by Molmil](/molmil-images/mine/6a6d) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution | Descriptor: | DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-06-27 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution To Be Published
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3HEM
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![BU of 3hem by Molmil](/molmil-images/mine/3hem) | |
6ZYZ
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![BU of 6zyz by Molmil](/molmil-images/mine/6zyz) | Structure of the borneol dehydrogenases of Salvia rosmarinus with NAD+ | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Borneol dehydrogenase from salvia rosmarinus, CHLORIDE ION, ... | Authors: | Dimos, N, Helmer, C.P.O, Loll, B. | Deposit date: | 2020-08-03 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases. Chemcatchem, 13, 2021
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1OHK
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![BU of 1ohk by Molmil](/molmil-images/mine/1ohk) | HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM | Descriptor: | DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1997-09-17 | Release date: | 1998-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523. Biochemistry, 36, 1997
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