5B4I
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![BU of 5b4i by Molmil](/molmil-images/mine/5b4i) | Crystal structure of I86D mutant of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin (data 2) | Descriptor: | BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase | Authors: | Hagiwara, Y, Wada, K, Irikawa, T, Unno, M, Fukuyama, K, Sugishima, M. | Deposit date: | 2016-04-04 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Atomic-resolution structure of the phycocyanobilin:ferredoxin oxidoreductase I86D mutant in complex with fully protonated biliverdin FEBS Lett., 590, 2016
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7K2U
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![BU of 7k2u by Molmil](/molmil-images/mine/7k2u) | DHODH IN COMPLEX WITH LIGAND 13 | Descriptor: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2020-09-09 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar. Bioorg.Med.Chem.Lett., 30, 2020
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5UZV
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![BU of 5uzv by Molmil](/molmil-images/mine/5uzv) | Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (rI) | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | Authors: | Shi, Y, Beese, L.S. | Deposit date: | 2017-02-27 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5B2V
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![BU of 5b2v by Molmil](/molmil-images/mine/5b2v) | Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2016-02-03 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of P450BM3 with decoy molecules to be published
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5V06
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![BU of 5v06 by Molmil](/molmil-images/mine/5v06) | Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' recessed-end DNA (rIV) | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | Authors: | Shi, Y, Beese, L.S. | Deposit date: | 2017-02-28 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V0C
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![BU of 5v0c by Molmil](/molmil-images/mine/5v0c) | Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f2I) | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(P*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | Authors: | Shi, Y, Beese, L.S. | Deposit date: | 2017-02-28 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1LEG
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![BU of 1leg by Molmil](/molmil-images/mine/1leg) | Crystal Structure of H-2Kb bound to the dEV8 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, ... | Authors: | Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A. | Deposit date: | 2002-04-09 | Release date: | 2002-06-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions. J.Exp.Med., 195, 2002
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5B3K
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![BU of 5b3k by Molmil](/molmil-images/mine/5b3k) | |
5ANT
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![BU of 5ant by Molmil](/molmil-images/mine/5ant) | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | Descriptor: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5ZTY
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![BU of 5zty by Molmil](/molmil-images/mine/5zty) | Crystal structure of human G protein coupled receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, X.T, Hua, T, Wu, L.J, Liu, Z.J. | Deposit date: | 2018-05-05 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB2 Cell, 176, 2019
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1THA
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![BU of 1tha by Molmil](/molmil-images/mine/1tha) | MECHANISM OF MOLECULAR RECOGNITION. STRUCTURAL ASPECTS OF 3,3'-DIIODO-L-THYRONINE BINDING TO HUMAN SERUM TRANSTHYRETIN | Descriptor: | 3,3'-DEIODO-THYROXINE, TRANSTHYRETIN | Authors: | Wojtczak, A, Luft, J, Cody, V. | Deposit date: | 1991-11-21 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of molecular recognition. Structural aspects of 3,3'-diiodo-L-thyronine binding to human serum transthyretin. J.Biol.Chem., 267, 1992
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6AA4
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![BU of 6aa4 by Molmil](/molmil-images/mine/6aa4) | Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9) | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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7K4R
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![BU of 7k4r by Molmil](/molmil-images/mine/7k4r) | Crystal structure of Kemp Eliminase HG3 K50Q | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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3N8B
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![BU of 3n8b by Molmil](/molmil-images/mine/3n8b) | Crystal Structure of Borrelia burgdorferi Pur-alpha | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | Authors: | Graebsch, A, Roche, S, Kostrewa, D, Niessing, D. | Deposit date: | 2010-05-28 | Release date: | 2010-10-06 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure. Plos One, 5, 2010
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7K4T
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![BU of 7k4t by Molmil](/molmil-images/mine/7k4t) | Crystal structure of Kemp Eliminase HG3.17 | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.999 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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6A17
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![BU of 6a17 by Molmil](/molmil-images/mine/6a17) | Crystal structure of CYP90B1 in complex with brassinazole | Descriptor: | (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ... | Authors: | Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
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5US6
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![BU of 5us6 by Molmil](/molmil-images/mine/5us6) | Structure of Dihydrodipicolinate Reductase from Vibrio vulnificus Bound to NADH and 2,6 Pyridine Dicarboxylic Acid with Intact Polyhistidine Tag | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, ... | Authors: | Mank, N.M, Arnette, A.K, Chruszcz, M. | Deposit date: | 2017-02-13 | Release date: | 2018-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus. Biochim Biophys Acta Gen Subj, 1865, 2021
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5AWQ
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![BU of 5awq by Molmil](/molmil-images/mine/5awq) | Arthrobacter globiformis T6 isomalto-dextranse complexed with panose | Descriptor: | Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | Authors: | Tonozuka, T. | Deposit date: | 2015-07-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27 J.Biol.Chem., 290, 2015
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5KZC
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![BU of 5kzc by Molmil](/molmil-images/mine/5kzc) | Crystal structure of an HIV-1 gp120 engineered outer domain with a Man9 glycan at position N276, in complex with broadly neutralizing antibody VRC01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Engineered outer domain of gp120, VRC01 Fab heavy chain, ... | Authors: | Julien, J.-P, Jardine, J.G, Diwanji, D, Schief, W.R, Wilson, I.A. | Deposit date: | 2016-07-24 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design. Plos Pathog., 12, 2016
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3T2A
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![BU of 3t2a by Molmil](/molmil-images/mine/3t2a) | TMAO-grown cubic insulin (porcine) | Descriptor: | Insulin A chain, Insulin B chain, trimethylamine oxide | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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1IJ8
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![BU of 1ij8 by Molmil](/molmil-images/mine/1ij8) | CRYSTAL STRUCTURE OF LITE AVIDIN-BNI COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, AVIDIN | Authors: | Livnah, O, Huberman, T. | Deposit date: | 2001-04-25 | Release date: | 2001-09-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chicken avidin exhibits pseudo-catalytic properties. Biochemical, structural, and electrostatic consequences. J.Biol.Chem., 276, 2001
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5UVB
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![BU of 5uvb by Molmil](/molmil-images/mine/5uvb) | |
5L9L
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![BU of 5l9l by Molmil](/molmil-images/mine/5l9l) | |
1SV2
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![BU of 1sv2 by Molmil](/molmil-images/mine/1sv2) | Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.5 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FORMIC ACID, Peptide deformylase, ... | Authors: | Zhou, Z, Song, X, Li, Y, Gong, W. | Deposit date: | 2004-03-27 | Release date: | 2005-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift J.Biol.Chem., 280, 2005
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5UL5
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![BU of 5ul5 by Molmil](/molmil-images/mine/5ul5) | Crystal structure of RPE65 in complex with MB-004 and palmitate | Descriptor: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ... | Authors: | Kiser, P.D, Palczewski, K. | Deposit date: | 2017-01-24 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Tuning of Visual Cycle Modulator Pharmacodynamics. J. Pharmacol. Exp. Ther., 362, 2017
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