7YZ3
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![BU of 7yz3 by Molmil](/molmil-images/mine/7yz3) | Molecular snapshots of drug release from tubulin: Apo state | Descriptor: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYY
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![BU of 7yyy by Molmil](/molmil-images/mine/7yyy) | Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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7YYQ
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![BU of 7yyq by Molmil](/molmil-images/mine/7yyq) | Molecular snapshots of drug release from tubulin: Dark state | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Weinert, T, Standfuss, J. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography. Nat Commun, 14, 2023
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6ELP
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![BU of 6elp by Molmil](/molmil-images/mine/6elp) | |
6EL5
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![BU of 6el5 by Molmil](/molmil-images/mine/6el5) | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | Deposit date: | 2017-09-27 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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1TBR
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![BU of 1tbr by Molmil](/molmil-images/mine/1tbr) | |
1TBQ
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![BU of 1tbq by Molmil](/molmil-images/mine/1tbq) | |
1E0F
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![BU of 1e0f by Molmil](/molmil-images/mine/1e0f) | Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor | Descriptor: | HAEMADIN, THROMBIN | Authors: | Richardson, J.L, Kroeger, B, Hoefken, W, Pereira, P, Huber, R, Bode, W, Fuentes-Prior, P. | Deposit date: | 2000-03-27 | Release date: | 2000-11-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of the Human Alpha-Thrombin-Haemadin Complex: An Exosite II-Binding Inhibitor Embo J., 19, 2000
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6XJI
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![BU of 6xji by Molmil](/molmil-images/mine/6xji) | PmtCD ABC exporter at C1 symmetry | Descriptor: | ABC transporter ATP-binding protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zeytuni, N, Strynadka, N.J.C, Hu, J, Worrall, L.J, Chou, H, Yu, Z. | Deposit date: | 2020-06-23 | Release date: | 2020-10-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins Sci Adv, 6, 2020
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8C8J
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![BU of 8c8j by Molmil](/molmil-images/mine/8c8j) | Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Walpole, T.B, Baldwin, E. | Deposit date: | 2023-01-20 | Release date: | 2023-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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8D47
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![BU of 8d47 by Molmil](/molmil-images/mine/8d47) | |
8D48
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![BU of 8d48 by Molmil](/molmil-images/mine/8d48) | sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ... | Authors: | Abernathy, M.E, Barnes, C.O. | Deposit date: | 2022-06-01 | Release date: | 2023-01-25 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein. Sci Immunol, 8, 2023
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4UXD
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![BU of 4uxd by Molmil](/molmil-images/mine/4uxd) | 2-keto 3-deoxygluconate aldolase from Picrophilus torridus | Descriptor: | 1,2-ETHANEDIOL, 2-DEHYDRO-3-DEOXY-D-GLUCONATE/2-DEHYDRO-3-DEOXY-PHOSPHOGLUCONATE ALDOLASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Priftis, A, Zaitsev, V, Reher, M, Johnsen, U, Danson, M.J, Taylor, G.L, Schoenheit, P, Crennell, S.J. | Deposit date: | 2014-08-22 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate. Biochemistry, 57, 2018
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2GCF
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![BU of 2gcf by Molmil](/molmil-images/mine/2gcf) | Solution structure of the N-terminal domain of the coppper(I) ATPase PacS in its apo form | Descriptor: | Cation-transporting ATPase pacS | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Kandias, N.G, Spyroulias, G.A, Robinson, N.J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-03-14 | Release date: | 2006-05-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The delivery of copper for thylakoid import observed by NMR. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6XB8
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![BU of 6xb8 by Molmil](/molmil-images/mine/6xb8) | |
6RG0
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![BU of 6rg0 by Molmil](/molmil-images/mine/6rg0) | Structure of pdxj | Descriptor: | Pyridoxine 5'-phosphate synthase | Authors: | Rohweder, B, Rajendran, C, Sterner, R. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.074 Å) | Cite: | Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression. Biochemistry, 58, 2019
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1MEG
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![BU of 1meg by Molmil](/molmil-images/mine/1meg) | |
6AGT
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![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3FH7
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![BU of 3fh7 by Molmil](/molmil-images/mine/3fh7) | |
3FH5
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![BU of 3fh5 by Molmil](/molmil-images/mine/3fh5) | |
3FH8
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![BU of 3fh8 by Molmil](/molmil-images/mine/3fh8) | |
3FHE
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![BU of 3fhe by Molmil](/molmil-images/mine/3fhe) | |
3FUL
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![BU of 3ful by Molmil](/molmil-images/mine/3ful) | |
3FTZ
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![BU of 3ftz by Molmil](/molmil-images/mine/3ftz) | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | Descriptor: | 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2010-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
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1URR
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![BU of 1urr by Molmil](/molmil-images/mine/1urr) | |