2QWN
 
 | | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-386aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ... | | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | | Deposit date: | 2007-08-10 | | Release date: | 2007-12-18 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
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2QWR
 | | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP intact form | | Descriptor: | ACETIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ... | | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | | Deposit date: | 2007-08-10 | | Release date: | 2007-12-18 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
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2R1X
 | | Crystal structure of S25-2 Fab in complex with Kdo analogues | | Descriptor: | 2,6-anhydro-3,5-dideoxy-D-ribo-oct-2-enonic acid-(4-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ... | | Authors: | Brooks, C.L, Evans, S.V. | | Deposit date: | 2007-08-23 | | Release date: | 2008-12-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
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2QST
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2QT5
 | | Crystal Structure of GRIP1 PDZ12 in Complex with the Fras1 Peptide | | Descriptor: | (ASN)(ASN)(LEU)(GLN)(ASP)(GLY)(THR)(GLU)(VAL), 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Long, J, Wei, Z, Feng, W, Zhao, Y, Zhang, M. | | Deposit date: | 2007-08-01 | | Release date: | 2008-06-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Supramodular nature of GRIP1 revealed by the structure of its PDZ12 tandem in complex with the carboxyl tail of Fras1.
J.Mol.Biol., 375, 2008
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2QKF
 | | Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Cochrane, F.C, Patchett, M.L, Jameson, G.B, Parker, E.J. | | Deposit date: | 2007-07-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Re-Establishing a Metal-Binding Scaffold with Full Activity in the Metal-Independent Kdo8P Synthase from Neisseria Meningitidis
To be Published
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2R1W
 | | Crystal structure of S25-2 Fab in complex with Kdo analogues | | Descriptor: | 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ... | | Authors: | Brooks, C.L, Evans, S.V. | | Deposit date: | 2007-08-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
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2QWM
 | | Crystal structure of bovine hsc70 (1-394aa)in the ADP*Vi state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock cognate 71 kDa protein, ... | | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | | Deposit date: | 2007-08-10 | | Release date: | 2007-12-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
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2QXZ
 | | pectate lyase R236F from Xanthomonas campestris | | Descriptor: | PHOSPHATE ION, pectate lyase II | | Authors: | Garron, M.L, Shaya, D. | | Deposit date: | 2007-08-13 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment.
Appl.Environ.Microbiol., 74, 2008
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2R5B
 | | Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | | Descriptor: | HIV entry inhibitor PIE7, SULFATE ION, gp41 N-peptide | | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-02 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R5D
 | | Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HIV entry inhibitor PIE7, ... | | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-02 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R8T
 | | Crystal structure of the fructose 1,6-bisphosphatase GlpX from E.coli in the complex with fructose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase class II glpX, UNKNOWN ATOM OR ION | | Authors: | Lunin, V.V, Skarina, T, Brown, G, Yakunin, A, Edwards, A.M, Savchenko, A. | | Deposit date: | 2007-09-11 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the fructose 1,6-bisphosphatase GlpX
from E.coli in the complex with fructose 1,6-bisphosphate
To be Published
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2JIH
 | | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ... | | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | | Deposit date: | 2007-06-28 | | Release date: | 2008-01-15 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
J. Mol. Biol., 373, 2007
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2LKB
 | | Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels | | Descriptor: | Neurotoxin MeuNaTx-5 | | Authors: | Zhu, S, Peigneur, S, Gao, B, Lu, X, Cao, C, Tytgat, J. | | Deposit date: | 2011-10-09 | | Release date: | 2011-11-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels
Mol.Cell Proteomics, 2011
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5KZ7
 | | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | | Descriptor: | 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | | Authors: | Su, H.P, Munshi, S.K. | | Deposit date: | 2016-07-23 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5KVK
 | | Crystal structure of the Competence-Damaged Protein (CinA) Superfamily Protein KP700603 from Klebsiella pneumoniae 700603 | | Descriptor: | Protein KP700603 | | Authors: | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Di Leo, R, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-14 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | To be published
To Be Published
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7MLC
 | | PYL10 bound to the ABA pan-antagonist 4a | | Descriptor: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10, GLYCEROL | | Authors: | Peterson, F.C, Vaidya, A.S, Volkman, B.F, Cutler, S.R. | | Deposit date: | 2021-04-28 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Click-to-lead design of a picomolar ABA receptor antagonist with potent activity in vivo.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7OR3
 | | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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5L4R
 | | X-ray structure of the adduct between thaumatin and cisplatin | | Descriptor: | Cisplatin, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Russo Krauss, I, Ferraro, G, Merlino, A. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Cisplatin-Protein Interactions: Unexpected Drug Binding to N-Terminal Amine and Lysine Side Chains.
Inorg.Chem., 55, 2016
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7ORS
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 | | Descriptor: | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7ORG
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-05 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7MLD
 | | PYL10 bound to the ABA pan-antagonist antabactin | | Descriptor: | Abscisic acid receptor PYL10, CITRIC ACID, antabactin | | Authors: | Peterson, F.C, Vaidya, A.S, Volkman, B.F, Cutler, S.R. | | Deposit date: | 2021-04-28 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Click-to-lead design of a picomolar ABA receptor antagonist with potent activity in vivo.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7OR8
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7ORT
 | | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7OQW
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