4ABF
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![BU of 4abf by Molmil](/molmil-images/mine/4abf) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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6KLJ
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![BU of 6klj by Molmil](/molmil-images/mine/6klj) | Crystal Structure of the Zea Mays laccase 3 complexed with coniferyl | Descriptor: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2019-07-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural basis for monolignol oxidation by a maize laccase. Nat.Plants, 6, 2020
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1OAP
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![BU of 1oap by Molmil](/molmil-images/mine/1oap) | Mad structure of the periplasmique domain of the Escherichia coli PAL protein | Descriptor: | PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, SULFATE ION | Authors: | Abergel, C, Walburger, A, Bouveret, E, Claverie, J.M. | Deposit date: | 2003-01-20 | Release date: | 2004-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallization and preliminary crystallographic study of the peptidoglycan-associated lipoprotein from Escherichia coli. Acta Crystallogr.,Sect.D, 57, 2001
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5KSP
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![BU of 5ksp by Molmil](/molmil-images/mine/5ksp) | hMiro1 C-domain GDP Complex C2221 Crystal Form | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1 | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-08 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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5DM0
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![BU of 5dm0 by Molmil](/molmil-images/mine/5dm0) | Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic desmethylPZN analog and SAH | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate, ... | Authors: | Hao, Y, Nair, S.K. | Deposit date: | 2015-09-07 | Release date: | 2015-09-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin. Acs Chem.Biol., 10, 2015
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1UT2
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![BU of 1ut2 by Molmil](/molmil-images/mine/1ut2) | AfaE-3 adhesin from Escherichia Coli | Descriptor: | AFIMBRIAL ADHESIN AFA-III, SULFATE ION | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-12-02 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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1UYU
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![BU of 1uyu by Molmil](/molmil-images/mine/1uyu) | Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ... | Authors: | Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X. | Deposit date: | 2004-03-02 | Release date: | 2005-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Survey of Active Site Access Channels in Cytochromes P450 J.Inorg.Biochem., 98, 2004
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1UNU
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![BU of 1unu by Molmil](/molmil-images/mine/1unu) | Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles | Descriptor: | CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2003-09-15 | Release date: | 2004-10-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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1YXN
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![BU of 1yxn by Molmil](/molmil-images/mine/1yxn) | Pseudo-atomic model of a fiberless isometric variant of bacteriophage phi29 | Descriptor: | Major head protein | Authors: | Morais, M.C, Choi, K.H, Koti, J.S, Chipman, P.R, Anderson, D.L, Rossmann, M.G. | Deposit date: | 2005-02-22 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Conservation of the Capsid Structure in Tailed dsDNA Bacteriophages: the Pseudoatomic Structure of phi29 Mol.Cell, 18, 2005
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3IMR
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![BU of 3imr by Molmil](/molmil-images/mine/3imr) | Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dichlorostyryl)phenol | Descriptor: | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2009-08-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
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1SUP
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![BU of 1sup by Molmil](/molmil-images/mine/1sup) | SUBTILISIN BPN' AT 1.6 ANGSTROMS RESOLUTION: ANALYSIS OF DISCRETE DISORDER AND COMPARISON OF CRYSTAL FORMS | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN BPN', ... | Authors: | Gallagher, D.T, Oliver, J.D, Betzel, C, Gilliland, G.L. | Deposit date: | 1995-08-14 | Release date: | 1995-11-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Subtilisin BPN' at 1.6 A resolution: analysis for discrete disorder and comparison of crystal forms. Acta Crystallogr.,Sect.D, 52, 1996
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3I7C
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![BU of 3i7c by Molmil](/molmil-images/mine/3i7c) | |
2AFM
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![BU of 2afm by Molmil](/molmil-images/mine/2afm) | Crystal structure of human glutaminyl cyclase at pH 6.5 | Descriptor: | Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION | Authors: | Huang, K.F, Liu, Y.L, Cheng, W.J, Ko, T.P, Wang, A.H.J. | Deposit date: | 2005-07-26 | Release date: | 2005-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TO2
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![BU of 1to2 by Molmil](/molmil-images/mine/1to2) | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2004-06-11 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,). Biochemistry, 43, 2004
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1TO1
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![BU of 1to1 by Molmil](/molmil-images/mine/1to1) | crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant | Descriptor: | CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ... | Authors: | Radisky, E.S, Kwan, G, Karen Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2004-06-11 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,). Biochemistry, 43, 2004
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4ABG
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![BU of 4abg by Molmil](/molmil-images/mine/4abg) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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6NWB
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![BU of 6nwb by Molmil](/molmil-images/mine/6nwb) | PYL10 bound to the selective agonist hexabactin | Descriptor: | Abscisic acid receptor PYL10, N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2019-02-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | PYL10 bound to the selective agonist hexabactin To Be Published
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4ABA
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![BU of 4aba by Molmil](/molmil-images/mine/4aba) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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1ZV4
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![BU of 1zv4 by Molmil](/molmil-images/mine/1zv4) | Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | Descriptor: | Regulator of G-protein signaling 17 | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-01 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6NR1
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![BU of 6nr1 by Molmil](/molmil-images/mine/6nr1) | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution | Descriptor: | Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2019-01-22 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution To Be Published
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4AOQ
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![BU of 4aoq by Molmil](/molmil-images/mine/4aoq) | Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ... | Authors: | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | Deposit date: | 2012-03-29 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III) Acta Crystallogr.,Sect.D, 69, 2013
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4AB8
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![BU of 4ab8 by Molmil](/molmil-images/mine/4ab8) | Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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3L8L
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![BU of 3l8l by Molmil](/molmil-images/mine/3l8l) | Gramicidin D complex with sodium iodide | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Wawrzak, Z, Duax, W.L. | Deposit date: | 2009-12-31 | Release date: | 2010-07-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The first crystal structure of a gramicidin complex with sodium: high-resolution study of a nonstoichiometric gramicidin D-NaI complex. Acta Crystallogr.,Sect.D, 66, 2010
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3LU6
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![BU of 3lu6 by Molmil](/molmil-images/mine/3lu6) | Human serum albumin in complex with compound 1 | Descriptor: | Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | Deposit date: | 2010-02-17 | Release date: | 2010-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Bioorg.Med.Chem., 18, 2010
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5EBT
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![BU of 5ebt by Molmil](/molmil-images/mine/5ebt) | Tankyrase 1 with Phthalazinone 2 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | Authors: | Kazmirski, S.L, Johannes, J. | Deposit date: | 2015-10-19 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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