3TPI
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![BU of 3tpi by Molmil](/molmil-images/mine/3tpi) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ... | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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2RC5
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![BU of 2rc5 by Molmil](/molmil-images/mine/2rc5) | Refined structure of FNR from Leptospira interrogans | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, SULFATE ION, ... | Authors: | Nascimento, A.S, Catalano-Dupuy, D.L, Polikarpov, I, Ceccarelli, E.A. | Deposit date: | 2007-09-19 | Release date: | 2008-03-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.431 Å) | Cite: | Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+. Bmc Struct.Biol., 7, 2007
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2RC6
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![BU of 2rc6 by Molmil](/molmil-images/mine/2rc6) | Refined structure of FNR from Leptospira interrogans bound to NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Nascimento, A.S, Catalano-Dupuy, D.L, Ceccarelli, E.A, Polikarpov, I. | Deposit date: | 2007-09-19 | Release date: | 2008-03-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+. Bmc Struct.Biol., 7, 2007
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7TUM
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![BU of 7tum by Molmil](/molmil-images/mine/7tum) | Multi-Hit SFX using MHz XFEL sources- first hit | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION | Authors: | Darmanin, C, Holmes, S, Abbey, B. | Deposit date: | 2022-02-03 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEC
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![BU of 6wec by Molmil](/molmil-images/mine/6wec) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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6WEB
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![BU of 6web by Molmil](/molmil-images/mine/6web) | Multi-Hit SFX using MHz XFEL sources | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Holmes, S, Darmanin, C, Abbey, B. | Deposit date: | 2020-04-01 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers. Nat Commun, 13, 2022
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5A7B
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![BU of 5a7b by Molmil](/molmil-images/mine/5a7b) | |
1LNH
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![BU of 1lnh by Molmil](/molmil-images/mine/1lnh) | |
4WAS
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![BU of 4was by Molmil](/molmil-images/mine/4was) | STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX | Descriptor: | CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ... | Authors: | Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J. | Deposit date: | 2014-08-31 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of ene adducts to study and engineer enoyl-thioester reductases. Nat.Chem.Biol., 11, 2015
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8BPP
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![BU of 8bpp by Molmil](/molmil-images/mine/8bpp) | |
4WAU
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![BU of 4wau by Molmil](/molmil-images/mine/4wau) | Crystal structure of CENP-M solved by native-SAD phasing | Descriptor: | Centromere protein M | Authors: | Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M. | Deposit date: | 2014-09-01 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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4WAB
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![BU of 4wab by Molmil](/molmil-images/mine/4wab) | Crystal structure of mPGES1 solved by native-SAD phasing | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | Deposit date: | 2014-08-29 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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8BPQ
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![BU of 8bpq by Molmil](/molmil-images/mine/8bpq) | |
5OV7
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![BU of 5ov7 by Molmil](/molmil-images/mine/5ov7) | tubulin - rigosertib complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Menchon, G, Prota, A.E, Steinmetz, M, Jost, M. | Deposit date: | 2017-08-28 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent. Mol. Cell, 68, 2017
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6Y4Q
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![BU of 6y4q by Molmil](/molmil-images/mine/6y4q) | Structure of a stapled peptide bound to MDM2 | Descriptor: | ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | Authors: | Pantelejevs, T, Bakanovych, I. | Deposit date: | 2020-02-22 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction. Org.Biomol.Chem., 18, 2020
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8BZP
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![BU of 8bzp by Molmil](/molmil-images/mine/8bzp) | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery. J.Med.Chem., 66, 2023
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4TPZ
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![BU of 4tpz by Molmil](/molmil-images/mine/4tpz) | |
4NCT
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![BU of 4nct by Molmil](/molmil-images/mine/4nct) | Human DYRK1A in complex with PKC412 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412 | Authors: | Alexeeva, M.O, Rothweiler, U. | Deposit date: | 2013-10-25 | Release date: | 2015-04-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. Acta Crystallogr.,Sect.D, 71, 2015
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7KS9
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![BU of 7ks9 by Molmil](/molmil-images/mine/7ks9) | |
3MK4
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![BU of 3mk4 by Molmil](/molmil-images/mine/3mk4) | X-Ray structure of human PEX3 in complex with a PEX19 derived peptide | Descriptor: | Peroxisomal biogenesis factor 19, Peroxisomal biogenesis factor 3 | Authors: | Schmidt, F, Treiber, N, Dodt, G, Stehle, T. | Deposit date: | 2010-04-14 | Release date: | 2010-06-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Insights into peroxisome function from the structure of PEX3 in complex with a soluble fragment of PEX19 J.Biol.Chem., 285, 2010
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3OV5
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![BU of 3ov5 by Molmil](/molmil-images/mine/3ov5) | |
4EJX
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![BU of 4ejx by Molmil](/molmil-images/mine/4ejx) | Structure of ceruloplasmin-myeloperoxidase complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Ceruloplasmin, ... | Authors: | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H. | Deposit date: | 2012-04-07 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.69 Å) | Cite: | Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins. Plos One, 8, 2013
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4ENZ
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![BU of 4enz by Molmil](/molmil-images/mine/4enz) | Structure of human ceruloplasmin at 2.6 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | Authors: | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H. | Deposit date: | 2012-04-13 | Release date: | 2013-04-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins. Plos One, 8, 2013
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8VDC
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![BU of 8vdc by Molmil](/molmil-images/mine/8vdc) | |
8VD4
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![BU of 8vd4 by Molmil](/molmil-images/mine/8vd4) | |