1E5C
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![BU of 1e5c by Molmil](/molmil-images/mine/1e5c) | Internal xylan binding domain from C. fimi Xyn10A, R262G mutant | Descriptor: | XYLANASE D | Authors: | Simpson, P.J, Hefang, X, Bolam, D.N, Gilbert, H.J, Williamson, M.P. | Deposit date: | 2000-07-24 | Release date: | 2001-05-25 | Last modified: | 2018-10-24 | Method: | SOLUTION NMR | Cite: | The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate Binding Nodules J.Biol.Chem., 275, 2000
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1W4I
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![BU of 1w4i by Molmil](/molmil-images/mine/1w4i) | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
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1W4E
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![BU of 1w4e by Molmil](/molmil-images/mine/1w4e) | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
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7S0D
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![BU of 7s0d by Molmil](/molmil-images/mine/7s0d) | |
7S0E
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![BU of 7s0e by Molmil](/molmil-images/mine/7s0e) | |
7SB8
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![BU of 7sb8 by Molmil](/molmil-images/mine/7sb8) | d(GA(CGA)5) parallel-stranded homo-duplex | Descriptor: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | Authors: | Luteran, E.M, Paukstelis, P.J. | Deposit date: | 2021-09-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.317 Å) | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands. Acta Crystallogr D Struct Biol, 78, 2022
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7S0B
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![BU of 7s0b by Molmil](/molmil-images/mine/7s0b) | Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody N-612-056 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-612-056 Fab Heavy Chain, N-612-056 Light Chain, ... | Authors: | Tanaka, S, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2021-08-30 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rapid identification of neutralizing antibodies against SARS-CoV-2 variants by mRNA display. Cell Rep, 38, 2022
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5ORV
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![BU of 5orv by Molmil](/molmil-images/mine/5orv) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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4PEG
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![BU of 4peg by Molmil](/molmil-images/mine/4peg) | Dbr1 in complex with guanosine-5'-monophosphate | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J. | Deposit date: | 2014-04-23 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1. Nucleic Acids Res., 42, 2014
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5OS3
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![BU of 5os3 by Molmil](/molmil-images/mine/5os3) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (1~{R})-1-(4-ethoxyphenyl)ethanamine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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7S0C
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![BU of 7s0c by Molmil](/molmil-images/mine/7s0c) | |
8HW9
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![BU of 8hw9 by Molmil](/molmil-images/mine/8hw9) | Solution structure of ubiquitin-like domain (UBL) of human ZFAND1 | Descriptor: | AN1-type zinc finger protein 1 | Authors: | Lai, C.H, Ko, K.T, Fan, P.J, Yu, T.A, Chang, C.F, Hsu, S.T.D. | Deposit date: | 2022-12-29 | Release date: | 2024-01-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of ubiquitin-like domain (UBL) of human ZFAND1 To Be Published
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1EXU
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![BU of 1exu by Molmil](/molmil-images/mine/1exu) | CRYSTAL STRUCTURE OF THE HUMAN MHC-RELATED FC RECEPTOR | Descriptor: | BETA-2-MICROGLOBULIN, BETA-MERCAPTOETHANOL, IGG RECEPTOR FCRN LARGE SUBUNIT P51 | Authors: | West Jr, A.P, Bjorkman, P.J. | Deposit date: | 2000-05-04 | Release date: | 2000-08-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and immunoglobulin G binding properties of the human major histocompatibility complex-related Fc receptor(,). Biochemistry, 39, 2000
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1EUM
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![BU of 1eum by Molmil](/molmil-images/mine/1eum) | CRYSTAL STRUCTURE OF THE E.COLI FERRITIN ECFTNA | Descriptor: | FERRITIN 1 | Authors: | Stillman, T.J, Hempstead, P.D, Artymiuk, P.J, Andrews, S.C, Hudson, A.J, Treffry, A, Guest, J.R, Harrison, P.M. | Deposit date: | 2000-04-17 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The high-resolution X-ray crystallographic structure of the ferritin (EcFtnA) of Escherichia coli; comparison with human H ferritin (HuHF) and the structures of the Fe(3+) and Zn(2+) derivatives. J.Mol.Biol., 307, 2001
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1SJQ
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![BU of 1sjq by Molmil](/molmil-images/mine/1sjq) | NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1) | Descriptor: | Polypyrimidine tract-binding protein 1 | Authors: | Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J. | Deposit date: | 2004-03-04 | Release date: | 2004-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and RNA Interactions of the N-Terminal RRM Domains of PTB Structure, 12, 2004
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6U7R
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![BU of 6u7r by Molmil](/molmil-images/mine/6u7r) | |
5OS4
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![BU of 5os4 by Molmil](/molmil-images/mine/5os4) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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1SNC
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![BU of 1snc by Molmil](/molmil-images/mine/1snc) | THE CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF STAPHYLOCOCCAL NUCLEASE, CA2+, AND THE INHIBITOR PD*TP, REFINED AT 1.65 ANGSTROMS | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Loll, P.J, Lattman, E.E. | Deposit date: | 1989-07-21 | Release date: | 1990-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of the ternary complex of staphylococcal nuclease, Ca2+, and the inhibitor pdTp, refined at 1.65 A. Proteins, 5, 1989
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6V6X
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![BU of 6v6x by Molmil](/molmil-images/mine/6v6x) | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-06 | Release date: | 2020-12-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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1W4J
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![BU of 1w4j by Molmil](/molmil-images/mine/1w4j) | Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-fast barrier-limited folding in the peripheral subunit-binding domain family. J. Mol. Biol., 353, 2005
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1W9R
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![BU of 1w9r by Molmil](/molmil-images/mine/1w9r) | Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae | Descriptor: | CHOLINE BINDING PROTEIN A | Authors: | Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W. | Deposit date: | 2004-10-15 | Release date: | 2005-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae Embo J., 24, 2005
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7RUD
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![BU of 7rud by Molmil](/molmil-images/mine/7rud) | DAHP synthase complex with trifluoropyruvate oxime | Descriptor: | (2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | Deposit date: | 2021-08-16 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition. Acs Infect Dis., 7, 2021
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7RUE
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![BU of 7rue by Molmil](/molmil-images/mine/7rue) | DAHP synthase complexed with trifluoropyruvate semicarbazone | Descriptor: | (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | Deposit date: | 2021-08-16 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition. Acs Infect Dis., 7, 2021
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5ORY
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![BU of 5ory by Molmil](/molmil-images/mine/5ory) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSF
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![BU of 5osf by Molmil](/molmil-images/mine/5osf) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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