1PZ3
 
 | | Crystal structure of a family 51 (GH51) alpha-L-arabinofuranosidase from Geobacillus stearothermophilus T6 | | Descriptor: | Alpha-L-arabinofuranosidase, GLYCEROL | | Authors: | Hoevel, K, Shallom, D, Niefind, K, Belakhov, V, Shoham, G, Baasov, T, Shoham, Y, Schomburg, D. | | Deposit date: | 2003-07-09 | | Release date: | 2003-10-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase
Embo J., 22, 2003
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2P4L
 | | Structure and sodium channel activity of an excitatory I1-superfamily conotoxin | | Descriptor: | I-superfamily conotoxin r11a | | Authors: | Buczek, O, Wei, D.X, Babon, J.J, Yang, X.D, Fiedler, B, Yoshikami, D, Olivera, B.M, Bulaj, G, Norton, R.S. | | Deposit date: | 2007-03-12 | | Release date: | 2007-09-25 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure and Sodium Channel Activity of an Excitatory I(1)-Superfamily Conotoxin
Biochemistry, 46, 2007
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1H69
 | | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION | | Descriptor: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2001-06-08 | | Release date: | 2001-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
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1H6U
 | | Internalin H: crystal structure of fused N-terminal domains. | | Descriptor: | INTERNALIN H | | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | | Deposit date: | 2001-06-25 | | Release date: | 2001-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
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1Y94
 | | Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease | | Descriptor: | Seminal ribonuclease | | Authors: | Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L. | | Deposit date: | 2004-12-14 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
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3B3G
 | | The 2.4 A crystal structure of the apo catalytic domain of coactivator-associated arginine methyl transferase I(CARM1,140-480). | | Descriptor: | Histone-arginine methyltransferase CARM1 | | Authors: | Troffer-Charlier, N, Cura, V, Hassenboehler, P, Moras, D, Cavarelli, J. | | Deposit date: | 2007-10-22 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional insights from structures of coactivator-associated arginine methyltransferase 1 domains.
Embo J., 26, 2007
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1LNE
 | | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | | Descriptor: | CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | | Deposit date: | 1994-05-13 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
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1HG8
 | | Endopolygalacturonase from the phytopathogenic fungus Fusarium moniliforme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOPOLYGALACTURONASE | | Authors: | Federici, L, Caprari, C, Mattei, B, Savino, C, De Lorenzo, G, Cervone, F, Tsernoglou, D. | | Deposit date: | 2000-12-13 | | Release date: | 2001-11-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Requirements of Endopolygalacturonase for the Interaction with Pgip (Polygalacturonase-Inhibiting Protein)
Proc.Natl.Acad.Sci.USA, 98, 2001
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1YQ4
 | | Avian respiratory complex ii with 3-nitropropionate and ubiquinone | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ... | | Authors: | Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | | Deposit date: | 2005-02-01 | | Release date: | 2005-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | 3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
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1NX0
 | | Structure of Calpain Domain 6 in Complex with Calpastatin DIC | | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit, ... | | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | | Deposit date: | 2003-02-07 | | Release date: | 2003-08-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
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1H7X
 | | Dihydropyrimidine dehydrogenase (DPD) from pig, ternary complex of a mutant enzyme (C671A), NADPH and 5-fluorouracil | | Descriptor: | 5-FLUOROURACIL, DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Dobritzsch, D, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2001-01-19 | | Release date: | 2001-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure of Dihydropyrimidine Dehydrogenase, a Major Determinant of the Pharmacokinetics of the Anti-Cancer Drug 5-Fluorouracil
Embo J., 20, 2001
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5MV4
 | | ACC1 Fab fragment in complex with citrullinated CII616-639 epitope of collagen type II (ptm23) | | Descriptor: | ACC1 antibody Fab fragment, heavy chain, light chain, ... | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-15 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
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1GPA
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6E75
 | | Structure of Human Transthyretin Asp38Ala Mutant | | Descriptor: | ACETATE ION, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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1OES
 | | Oxidation state of protein tyrosine phosphatase 1B | | Descriptor: | MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | | Authors: | van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H. | | Deposit date: | 2003-03-31 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
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3HRE
 | | X-ray crystallographic structure of CTX-M-9 S70G | | Descriptor: | CTX-M-9 extended-spectrum beta-lactamase, PHOSPHATE ION | | Authors: | Delmas, J, Leyssene, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | | Deposit date: | 2009-06-09 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
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1OET
 | | Oxidation state of protein tyrosine phosphatase 1B | | Descriptor: | -TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, MAGNESIUM ION | | Authors: | van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H. | | Deposit date: | 2003-03-31 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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3BXR
 | | Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism | | Descriptor: | (9S,12S)-9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide, Protease, SULFATE ION | | Authors: | Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L. | | Deposit date: | 2008-01-14 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
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5MYP
 | | Structure of apo-TbALDH3 | | Descriptor: | Aldehyde dehydrogenase, GLYCEROL | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-01-27 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Activation of an anti-trypanosomal benzoxaborole requires both host and parasite factors
To Be Published
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1H6T
 | | Internalin B: crystal structure of fused N-terminal domains. | | Descriptor: | INTERNALIN B | | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | | Deposit date: | 2001-06-22 | | Release date: | 2001-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
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4WZB
 | | Crystal Structure of MgAMPPCP-bound Av2-Av1 complex | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C. | | Deposit date: | 2014-11-19 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nitrogenase complexes: multiple docking sites for a nucleotide switch protein.
Science, 309, 2005
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1ZK2
 | | Orthorhombic crystal structure of the apo-form of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis | | Descriptor: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | Deposit date: | 2005-05-02 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Atomic resolution structures of R-specific alcohol dehydrogenase from Lactobacillus brevis provide the structural bases of its substrate and cosubstrate specificity
J.Mol.Biol., 349, 2005
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1ZK0
 | | Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NADH | | Descriptor: | (1R)-1-PHENYLETHANOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | Deposit date: | 2005-05-02 | | Release date: | 2005-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
J.Mol.Biol., 349, 2005
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1H3H
 | | Structural Basis for Specific Recognition of an RxxK-containing SLP-76 peptide by the Gads C-terminal SH3 domain | | Descriptor: | GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2 | | Authors: | Liu, Q, Berry, D, Nash, P, Pawson, T, McGlade, C.J, Li, S.S. | | Deposit date: | 2002-09-03 | | Release date: | 2003-03-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Specific Binding of the Gads SH3 Domain to an Rxxk Motif-Containing Slp-76 Peptide: A Novel Mode of Peptide Recognition
Mol.Cell, 11, 2003
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