5VE3
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![BU of 5ve3 by Molmil](/molmil-images/mine/5ve3) | Crystal structure of wild-type persulfide dioxygenase-rhodanese fusion protein from Burkholderia phytofirmans | Descriptor: | BpPRF, FE (III) ION | Authors: | Motl, N, Skiba, M.A, Smith, J.L, Banerjee, R. | Deposit date: | 2017-04-03 | Release date: | 2017-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation. J. Biol. Chem., 292, 2017
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1DSA
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![BU of 1dsa by Molmil](/molmil-images/mine/1dsa) | (+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES | Descriptor: | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | Authors: | Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J. | Deposit date: | 1997-05-08 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA. J.Mol.Biol., 272, 1997
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3EOC
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![BU of 3eoc by Molmil](/molmil-images/mine/3eoc) | Cdk2/CyclinA complexed with a imidazo triazin-2-amine | Descriptor: | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2 | Authors: | Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R. | Deposit date: | 2008-09-26 | Release date: | 2008-11-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1. Bioorg.Med.Chem.Lett., 18, 2008
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6B3A
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![BU of 6b3a by Molmil](/molmil-images/mine/6b3a) | |
6B3B
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![BU of 6b3b by Molmil](/molmil-images/mine/6b3b) | AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate | Descriptor: | AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ... | Authors: | Skiba, M.A, Smith, J.L. | Deposit date: | 2017-09-21 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit. ACS Chem. Biol., 12, 2017
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6D6Y
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![BU of 6d6y by Molmil](/molmil-images/mine/6d6y) | |
6XKL
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![BU of 6xkl by Molmil](/molmil-images/mine/6xkl) | SARS-CoV-2 HexaPro S One RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2020-06-26 | Release date: | 2020-07-15 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structure-based design of prefusion-stabilized SARS-CoV-2 spikes. Science, 369, 2020
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1CNP
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![BU of 1cnp by Molmil](/molmil-images/mine/1cnp) | THE STRUCTURE OF CALCYCLIN REVEALS A NOVEL HOMODIMERIC FOLD FOR S100 CA2+-BINDING PROTEINS, NMR, 22 STRUCTURES | Descriptor: | CALCYCLIN (RABBIT, APO) | Authors: | Potts, B.C.M, Smith, J, Akke, M, Macke, T.J, Okazaki, K, Hidaka, H, Case, D.A, Chazin, W.J. | Deposit date: | 1995-08-31 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins. Nat.Struct.Biol., 2, 1995
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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4H5Q
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5IOR
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![BU of 5ior by Molmil](/molmil-images/mine/5ior) | Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate | Descriptor: | 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | Deposit date: | 2016-03-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase. Biochemistry, 55, 2016
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1G1L
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![BU of 1g1l by Molmil](/molmil-images/mine/1g1l) | THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-GLUCOSE COMPLEX. | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, CITRIC ACID, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Blankenfeldt, W, Asuncion, M, Lam, J.S, Naimsmith, J.H. | Deposit date: | 2000-10-12 | Release date: | 2000-12-27 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA). EMBO J., 19, 2000
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5KP8
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![BU of 5kp8 by Molmil](/molmil-images/mine/5kp8) | |
7LO1
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![BU of 7lo1 by Molmil](/molmil-images/mine/7lo1) | |
5KP5
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![BU of 5kp5 by Molmil](/molmil-images/mine/5kp5) | |
5KP7
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![BU of 5kp7 by Molmil](/molmil-images/mine/5kp7) | |
5KP6
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![BU of 5kp6 by Molmil](/molmil-images/mine/5kp6) | |
7MRX
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![BU of 7mrx by Molmil](/molmil-images/mine/7mrx) | |
1E2V
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![BU of 1e2v by Molmil](/molmil-images/mine/1e2v) | N153Q mutant of cytochrome f from Chlamydomonas reinhardtii | Descriptor: | ACETATE ION, CYTOCHROME F, HEME C | Authors: | Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L. | Deposit date: | 2000-05-29 | Release date: | 2000-08-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function Biochemistry, 39, 2000
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1A4X
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![BU of 1a4x by Molmil](/molmil-images/mine/1a4x) | PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, HEXAMERIC FORM | Descriptor: | PYRIMIDINE OPERON REGULATORY PROTEIN PYRR, SULFATE ION | Authors: | Tomchick, D.R, Turner, R.J, Switzer, R.W, Smith, J.L. | Deposit date: | 1998-02-08 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adaptation of an enzyme to regulatory function: structure of Bacillus subtilis PyrR, a pyr RNA-binding attenuation protein and uracil phosphoribosyltransferase. Structure, 6, 1998
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5LQ4
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![BU of 5lq4 by Molmil](/molmil-images/mine/5lq4) | The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways | Descriptor: | CyaGox, FLAVIN MONONUCLEOTIDE | Authors: | Bent, A.F, Wagner, A, Naismith, J.H. | Deposit date: | 2016-08-16 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD. Acta Crystallogr D Struct Biol, 72, 2016
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XPV
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![BU of 4xpv by Molmil](/molmil-images/mine/4xpv) | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-18 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQ4
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![BU of 4xq4 by Molmil](/molmil-images/mine/4xq4) | X-ray structure analysis of xylanase - N44D | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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1A3C
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![BU of 1a3c by Molmil](/molmil-images/mine/1a3c) | PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, DIMERIC FORM | Descriptor: | PYRIMIDINE OPERON REGULATORY PROTEIN PYRR, SAMARIUM (III) ION, SULFATE ION | Authors: | Tomchick, D.R, Turner, R.J, Switzer, R.W, Smith, J.L. | Deposit date: | 1998-01-20 | Release date: | 1998-08-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Adaptation of an enzyme to regulatory function: structure of Bacillus subtilis PyrR, a pyr RNA-binding attenuation protein and uracil phosphoribosyltransferase. Structure, 6, 1998
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