6CA3
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![BU of 6ca3 by Molmil](/molmil-images/mine/6ca3) | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | Deposit date: | 2018-01-29 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.743 Å) | Cite: | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol To Be Published
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6BYA
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![BU of 6bya by Molmil](/molmil-images/mine/6bya) | Crystal structure of LdBPK_091320 with inhibitor bound | Descriptor: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | Authors: | Dong, A, Lin, Y.H, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of LdBPK_091320.1 with with inhibitor bound to be published
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1RUR
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![BU of 1rur by Molmil](/molmil-images/mine/1rur) | Crystal Structure (I) of native Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected at SSRL beamline 9-1. | Descriptor: | ZINC ION, immunoglobulin 13G5, heavy chain, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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6BPT
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![BU of 6bpt by Molmil](/molmil-images/mine/6bpt) | Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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6BPW
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![BU of 6bpw by Molmil](/molmil-images/mine/6bpw) | Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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1RST
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![BU of 1rst by Molmil](/molmil-images/mine/1rst) | |
6ISW
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![BU of 6isw by Molmil](/molmil-images/mine/6isw) | Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12 | Descriptor: | DNA (22-MER), POTASSIUM ION | Authors: | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | Deposit date: | 2018-11-19 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe. Nucleic Acids Res., 47, 2019
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6ITO
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![BU of 6ito by Molmil](/molmil-images/mine/6ito) | Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C. | Deposit date: | 2018-11-24 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis. J.Mol.Biol., 431, 2019
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1RUQ
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![BU of 1ruq by Molmil](/molmil-images/mine/1ruq) | Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house. | Descriptor: | ZINC ION, immunoglobulin 13G5 heavy chain, immunoglobulin 13G5 light chain | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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5MFG
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![BU of 5mfg by Molmil](/molmil-images/mine/5mfg) | Designed armadillo repeat protein YIIIM5AII in complex with peptide (RR)4 | Descriptor: | (RR)4, CALCIUM ION, YIIIM5AII | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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6I5J
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![BU of 6i5j by Molmil](/molmil-images/mine/6i5j) | Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide | Descriptor: | COBALT (II) ION, Elongin-B, Elongin-C, ... | Authors: | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | Deposit date: | 2018-11-13 | Release date: | 2019-05-29 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase. Nat Commun, 10, 2019
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6I5W
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![BU of 6i5w by Molmil](/molmil-images/mine/6i5w) | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | Descriptor: | ACETATE ION, Solute Binding Protein BlMnBP1, Blac_00780 in complex with mannopentaose, ... | Authors: | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-11-14 | Release date: | 2019-04-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
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1A5G
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![BU of 1a5g by Molmil](/molmil-images/mine/1a5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-16 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1AB1
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![BU of 1ab1 by Molmil](/molmil-images/mine/1ab1) | SI FORM CRAMBIN | Descriptor: | CRAMBIN (SER22/ILE25), ETHANOL | Authors: | Teeter, M.M, Yamano, A. | Deposit date: | 1997-01-31 | Release date: | 1997-08-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Crystal structure of Ser-22/Ile-25 form crambin confirms solvent, side chain substate correlations. J.Biol.Chem., 272, 1997
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4YZT
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![BU of 4yzt by Molmil](/molmil-images/mine/4yzt) | Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose | Descriptor: | 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Liberato, M.V, Popov, A, Polikarpov, I. | Deposit date: | 2015-03-25 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism. Sci Rep, 6, 2016
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6I7Z
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![BU of 6i7z by Molmil](/molmil-images/mine/6i7z) | Dye type peroxidase Aa from Streptomyces lividans: 32.8 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-19 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6I5K
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![BU of 6i5k by Molmil](/molmil-images/mine/6i5k) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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6I8E
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![BU of 6i8e by Molmil](/molmil-images/mine/6i8e) | Dye type peroxidase Aa from Streptomyces lividans: 65.6 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6C4Q
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![BU of 6c4q by Molmil](/molmil-images/mine/6c4q) | 1.16 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1-100) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Polyketide synthase Pks13 | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-01-12 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | 1.16 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1-100) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis. To Be Published
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6C4S
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![BU of 6c4s by Molmil](/molmil-images/mine/6c4s) | |
6C4W
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![BU of 6c4w by Molmil](/molmil-images/mine/6c4w) | |
4Z13
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![BU of 4z13 by Molmil](/molmil-images/mine/4z13) | Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI) and soaked in H2O2 | Descriptor: | 6-tungstotellurate(VI), Aurone synthase, COPPER (II) ION, ... | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases. Proc.Natl.Acad.Sci.USA, 113, 2016
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6I91
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![BU of 6i91 by Molmil](/molmil-images/mine/6i91) | Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-22 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation sensitive metalloproteins To be published
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6C55
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![BU of 6c55 by Molmil](/molmil-images/mine/6c55) | Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3 | Descriptor: | (cyclohexylamino)(oxo)acetic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schmbri, M, McGeary, R.P. | Deposit date: | 2018-01-14 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors To Be Published
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6I7E
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![BU of 6i7e by Molmil](/molmil-images/mine/6i7e) | Plasmodium falciparum Myosin A, Pre-powerstroke | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-A, ... | Authors: | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2018-11-16 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.492 Å) | Cite: | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism. Nat Commun, 10, 2019
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