7SVW
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![BU of 7svw by Molmil](/molmil-images/mine/7svw) | Strand-transfer complex of TnsB from ShCAST | Descriptor: | MAGNESIUM ION, STC_LE_For, STC_LE_Rev1, ... | Authors: | Park, J, Tsai, A.W.T, Kellogg, E.H. | Deposit date: | 2021-11-19 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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6B16
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![BU of 6b16 by Molmil](/molmil-images/mine/6b16) | P21-activated kinase 1 in complex with a 4-azaindole inhibitor | Descriptor: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1 | Authors: | Rouge, L, Wang, W. | Deposit date: | 2017-09-16 | Release date: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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8S1J
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7ARS
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![BU of 7ars by Molmil](/molmil-images/mine/7ars) | The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine) | Descriptor: | MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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7ARR
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![BU of 7arr by Molmil](/molmil-images/mine/7arr) | The de novo designed hybrid alpha/beta-miniprotein | Descriptor: | CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ... | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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5C2W
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![BU of 5c2w by Molmil](/molmil-images/mine/5c2w) | Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon | Descriptor: | CALCIUM ION, CHLORIDE ION, HEME C, ... | Authors: | Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M. | Deposit date: | 2015-06-16 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The inner workings of the hydrazine synthase multiprotein complex. Nature, 527, 2015
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1BV4
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![BU of 1bv4 by Molmil](/molmil-images/mine/1bv4) | APO-MANNOSE-BINDING PROTEIN-C | Descriptor: | PROTEIN (MANNOSE-BINDING PROTEIN-C) | Authors: | Ng, K.K.-S, Weis, W.I. | Deposit date: | 1998-09-22 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ca2+-dependent structural changes in C-type mannose-binding proteins. Biochemistry, 37, 1998
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1BVO
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![BU of 1bvo by Molmil](/molmil-images/mine/1bvo) | DORSAL HOMOLOGUE GAMBIF1 BOUND TO DNA | Descriptor: | DNA DUPLEX, TRANSCRIPTION FACTOR GAMBIF1 | Authors: | Cramer, P, Varrot, A, Barillas-Mury, C, Kafatos, F.C, Mueller, C.W. | Deposit date: | 1998-09-16 | Release date: | 1999-07-12 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the specificity domain of the Dorsal homologue Gambif1 bound to DNA. Structure Fold.Des., 7, 1999
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4E0D
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![BU of 4e0d by Molmil](/molmil-images/mine/4e0d) | Binary complex of Bacillus DNA Polymerase I Large Fragment E658A and duplex DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wang, W, Beese, L.S. | Deposit date: | 2012-03-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides. J.Biol.Chem., 287, 2012
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1DYD
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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7AZT
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![BU of 7azt by Molmil](/molmil-images/mine/7azt) | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, RE11660p | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S. | Deposit date: | 2020-11-17 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
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7AYV
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![BU of 7ayv by Molmil](/molmil-images/mine/7ayv) | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. | Deposit date: | 2020-11-13 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
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2UYZ
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![BU of 2uyz by Molmil](/molmil-images/mine/2uyz) | Non-covalent complex between Ubc9 and SUMO1 | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, SUMO-CONJUGATING ENZYME UBC9 | Authors: | Knipscheer, P, van Dijk, W.J, Olsen, J.V, Mann, M, Sixma, T.K. | Deposit date: | 2007-04-21 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Noncovalent interaction between Ubc9 and SUMO promotes SUMO chain formation. EMBO J., 26, 2007
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6B0E
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![BU of 6b0e by Molmil](/molmil-images/mine/6b0e) | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1260 | Descriptor: | 1260 antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P. | Deposit date: | 2017-09-14 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nat Commun, 8, 2017
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7B4J
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![BU of 7b4j by Molmil](/molmil-images/mine/7b4j) | Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2020-12-02 | Release date: | 2021-09-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines. Acs Catalysis, 11, 2021
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7B4I
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![BU of 7b4i by Molmil](/molmil-images/mine/7b4i) | Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines | Descriptor: | Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2020-12-02 | Release date: | 2021-09-01 | Last modified: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines. Acs Catalysis, 11, 2021
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1BXA
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![BU of 1bxa by Molmil](/molmil-images/mine/1bxa) | AMICYANIN REDUCED, PH 4.4, 1.3 ANGSTROMS | Descriptor: | COPPER (I) ION, PROTEIN (AMICYANIN) | Authors: | Cunane, L.M, Chen, Z.W, Durley, R.C.E, Mathews, F.S. | Deposit date: | 1998-10-01 | Release date: | 1998-10-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin. Biochemistry, 37, 1998
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1BR6
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![BU of 1br6 by Molmil](/molmil-images/mine/1br6) | RICIN A CHAIN (RECOMBINANT) COMPLEX WITH PTEROIC ACID | Descriptor: | PROTEIN (RICIN), PTEROIC ACID | Authors: | Hollis, T, Yan, X, Svinth, M, Day, P, Monzingo, A.F, Milne, G.W.A, Robertus, J.D. | Deposit date: | 1998-08-27 | Release date: | 1998-09-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based identification of a ricin inhibitor. J.Mol.Biol., 266, 1997
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6IZ4
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![BU of 6iz4 by Molmil](/molmil-images/mine/6iz4) | Crystal Structure Analysis of TRIC counter-ion channels in calcium release | Descriptor: | Trimeric intracellular cation channel type B-B | Authors: | Wang, X.H, Zeng, Y, Gao, F, Su, M, Hendrickson, W.A, Chen, Y.H. | Deposit date: | 2018-12-18 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.098 Å) | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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2VML
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8SZU
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8AN8
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![BU of 8an8 by Molmil](/molmil-images/mine/8an8) | Crystal structure of wild-type c-MET bound by compound 7. | Descriptor: | 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION | Authors: | Collie, G.W. | Deposit date: | 2022-08-04 | Release date: | 2022-08-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Discovery of a selective c-MET inhibitor with a novel binding mode. Bioorg.Med.Chem.Lett., 75, 2022
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6BA2
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![BU of 6ba2 by Molmil](/molmil-images/mine/6ba2) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | Descriptor: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-11 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.85003817 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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