1W73
 
 | | Binary structure of human DECR solved by SeMet SAD. | | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | | Deposit date: | 2004-08-27 | | Release date: | 2004-10-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
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7N7X
 | | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
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7R1L
 | | Clostridium thermocellum CtCBM50 structure in complex with beta-1,4-GlcNAc trisaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Spore coat assembly protein SafA | | Authors: | Ribeiro, D.O, Costa, R, Palma, A.S, Carvalho, A.L. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Unravelling Clostridium thermocellum LysM domains: a molecular view on the cooperative recognition of chitin and peptidoglycan
To Be Published
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6DZO
 | | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site
To be Published
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1VYO
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1W7N
 | | Crystal structure of human kynurenine aminotransferase I in PMP form | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, KYNURENINE--OXOGLUTARATE TRANSAMINASE I | | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | | Deposit date: | 2004-09-06 | | Release date: | 2004-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
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3EGS
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 soaked in ammonium sulfate | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, gp41 scrFP-MPER construct | | Authors: | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | | Deposit date: | 2008-09-11 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
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1W84
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | | Deposit date: | 2004-09-16 | | Release date: | 2005-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
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6E0S
 | | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library | | Descriptor: | GLYCEROL, MEM-A1, PHOSPHATE ION, ... | | Authors: | Stogios, P.J, Skarina, T, Lau, C, Topp, E, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-07-06 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library
To Be Published
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5GZJ
 | | Cyclodeaminase_PA | | Descriptor: | Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Ying, H, Chen, K. | | Deposit date: | 2016-09-28 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Cyclodeaminase_PA
To Be Published
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7RD2
 | | Co-crystal structure of Chaetomium glucosidase with compound 2 | | Descriptor: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-07-09 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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7R2U
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1W1R
 | | Plant Cytokinin Dehydrogenase in Complex with trans-Zeatin | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Malito, E, Mattevi, A. | | Deposit date: | 2004-06-23 | | Release date: | 2004-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
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1W8U
 | | CBM29-2 mutant D83A complexed with mannohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2004-09-28 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
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1W92
 | | The structure of carbomonoxy murine neuroglobin reveals a heme- sliding mechanism for affinity regulation | | Descriptor: | CARBON MONOXIDE, NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vallone, B, Nienhaus, K, Matthes, A, Brunori, M, Nienhaus, G.U. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of Carbonmonoxy Neuroglobin Reveals a Heme-Sliding Mechanism for Control of Ligand Affinity
Proc.Natl.Acad.Sci.USA, 101, 2004
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1W20
 | | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 291 K | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2004-06-24 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
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1W2R
 | | Solution structure of CR2 SCR 1-2 by X-ray scattering | | Descriptor: | COMPLEMENT RECEPTOR TYPE 2 PRECURSOR, | | Authors: | Gilbert, H.E, Hannan, J.P, Holers, V.M, Perkins, S.J. | | Deposit date: | 2004-07-08 | | Release date: | 2005-09-29 | | Last modified: | 2024-05-08 | | Method: | SOLUTION SCATTERING | | Cite: | Solution Structure of the Complex between Cr2 Scr 1-2 and C3D of Human Complement: An X-Ray Scattering and Sedimentation Modelling Study.
J.Mol.Biol., 346, 2005
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1W2W
 | | Crystal structure of yeast Ypr118w, a methylthioribose-1-phosphate isomerase related to regulatory eIF2B subunits | | Descriptor: | 5-METHYLTHIORIBOSE-1-PHOSPHATE ISOMERASE, SULFATE ION | | Authors: | Bumann, M, Djafarzadeh, S, Oberholzer, A.E, Bigler, P, Altmann, M, Trachsel, H, Baumann, U. | | Deposit date: | 2004-07-09 | | Release date: | 2004-07-16 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Yeast Ypr118W, a Methylthioribose-1-Phosphate Isomerase Related to Regulatory Eif2B Subunits
J.Biol.Chem., 279, 2004
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5H49
 | | Crystal structure of Cbln1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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5H4V
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1WAA
 | | IG27 protein domain | | Descriptor: | TITIN, ZINC ION | | Authors: | Vega, M.C, Valencia, L, Zou, P, Wilmanns, M. | | Deposit date: | 2004-10-25 | | Release date: | 2006-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanical Network in Titin Immunoglobulin from Force Distribution Analysis.
Plos Comput.Biol., 5, 2009
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5G54
 | | The crystal structure of light-driven chloride pump ClR at pH 4.5 | | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | | Deposit date: | 2016-05-19 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
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1W5J
 | | AN ANTI-PARALLEL FOUR HELIX BUNDLE | | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2004-08-07 | | Release date: | 2004-09-24 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
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1WB4
 | | S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with sinapinate | | Descriptor: | ACETIC ACID, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... | | Authors: | Tarbouriech, N, Prates, J.A, Fontes, C, Davies, G.J. | | Deposit date: | 2004-10-30 | | Release date: | 2005-02-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Determinants of Substrate Specificity in the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 61, 2005
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5G1W
 | | Apo Structure of Linalool Dehydratase-Isomerase | | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-03-30 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
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