1TE1
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![BU of 1te1 by Molmil](/molmil-images/mine/1te1) | Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ... | Authors: | Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A. | Deposit date: | 2004-05-24 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES. J.Biol.Chem., 279, 2004
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7T45
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![BU of 7t45 by Molmil](/molmil-images/mine/7t45) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c | Descriptor: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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2I58
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![BU of 2i58 by Molmil](/molmil-images/mine/2i58) | Crystal Structure of RafE from Streptococcus pneumoniae complexed with raffinose | Descriptor: | CHLORIDE ION, Sugar ABC transporter, sugar-binding protein, ... | Authors: | Paterson, N.G, Riboldi-Tunnicliffe, A, Mitchell, T.J, Isaacs, N.W. | Deposit date: | 2006-08-24 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of apo and bound forms of RafE from Streptococcus pneumoniae To be Published
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2I6Z
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![BU of 2i6z by Molmil](/molmil-images/mine/2i6z) | |
1THK
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![BU of 1thk by Molmil](/molmil-images/mine/1thk) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-06-01 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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5K1B
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![BU of 5k1b by Molmil](/molmil-images/mine/5k1b) | |
3EJQ
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![BU of 3ejq by Molmil](/molmil-images/mine/3ejq) | Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-swainsonine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuntz, D.A, Rose, D.R. | Deposit date: | 2008-09-18 | Release date: | 2009-10-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem, 11, 2010
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7T85
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![BU of 7t85 by Molmil](/molmil-images/mine/7t85) | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Phosphate acetyltransferase, ... | Authors: | Kim, Y, Dementiev, A, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-15 | Release date: | 2021-12-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the N-terminal Domain of the Phosphate Acetyltransferase from Escherichia coli To Be Published
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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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1SVB
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![BU of 1svb by Molmil](/molmil-images/mine/1svb) | |
4R32
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![BU of 4r32 by Molmil](/molmil-images/mine/4r32) | Crystal Structure Analysis of Pyk2 and Paxillin LD motifs | Descriptor: | Paxillin, Protein-tyrosine kinase 2-beta | Authors: | Vanarotti, M, Miller, D.J, Guibao, C.D, Nourse, A, Zheng, J.J. | Deposit date: | 2014-08-13 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.505 Å) | Cite: | Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs. J.Mol.Biol., 426, 2014
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1T07
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![BU of 1t07 by Molmil](/molmil-images/mine/1t07) | Crystal Structure of Conserved Protein of Unknown Function PA5148 from Pseudomonas aeruginosa | Descriptor: | Hypothetical UPF0269 protein PA5148 | Authors: | Kim, Y, Joachimiak, A, Skarina, T, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-04-07 | Release date: | 2004-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of PA5148 from Pseudomonas aeruginosa To be Published
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6IBP
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![BU of 6ibp by Molmil](/molmil-images/mine/6ibp) | Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device | Descriptor: | CCA-adding enzyme | Authors: | de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. | Deposit date: | 2018-11-30 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.536 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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1T1J
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![BU of 1t1j by Molmil](/molmil-images/mine/1t1j) | Crystal structure of genomics APC5043 | Descriptor: | hypothetical protein | Authors: | Dong, A, Xu, X, Liu, Y, Zhang, R, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-04-16 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Conserved Hypothetical Protein PA1492 from Pseudomonas aeruginosa TO BE PUBLISHED
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6W9Q
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![BU of 6w9q by Molmil](/molmil-images/mine/6w9q) | Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase | Descriptor: | 3C-like proteinase peptide, Non-structural protein 9 fusion, PHOSPHATE ION | Authors: | Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J. | Deposit date: | 2020-03-23 | Release date: | 2020-04-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9. Iscience, 23, 2020
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4R9U
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![BU of 4r9u by Molmil](/molmil-images/mine/4r9u) | Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Korkhov, V.M, Mireku, S.A, Veprintsev, D.B, Locher, K.P. | Deposit date: | 2014-09-08 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.785 Å) | Cite: | Structure of AMP-PNP-bound BtuCD and mechanism of ATP-powered vitamin B12 transport by BtuCD-F. Nat.Struct.Mol.Biol., 21, 2014
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3X2I
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![BU of 3x2i by Molmil](/molmil-images/mine/3x2i) | X-ray structure of PcCel45A N92D apo form at 298K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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4RCH
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![BU of 4rch by Molmil](/molmil-images/mine/4rch) | Discovery of 2-Pyridyl Ureas as Glucokinase Activators | Descriptor: | 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose | Authors: | Voegtli, W, Vigers, G.P.A. | Deposit date: | 2014-09-16 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of 2-pyridylureas as glucokinase activators. J.Med.Chem., 57, 2014
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1T4Z
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7SSM
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![BU of 7ssm by Molmil](/molmil-images/mine/7ssm) | Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
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8PTD
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![BU of 8ptd by Molmil](/molmil-images/mine/8ptd) | The surface-exposed lipo-protein of BtuG1 in complex with cyanocobalamin. | Descriptor: | COBALAMIN, GLYCEROL, HYDROXIDE ION, ... | Authors: | Whittaker, J, Felices Martinez, J.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2023-07-14 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The surface-exposed lipo-protein of BtuG1 in complex with cyanocobalamin. To Be Published
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4RAJ
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![BU of 4raj by Molmil](/molmil-images/mine/4raj) | |
7AYX
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![BU of 7ayx by Molmil](/molmil-images/mine/7ayx) | |
7AQY
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![BU of 7aqy by Molmil](/molmil-images/mine/7aqy) | |
4QRS
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![BU of 4qrs by Molmil](/molmil-images/mine/4qrs) | Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Twist, K.-A, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2014-12-10 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire. Sci Rep, 4, 2014
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