5V0S
 
 | | Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis | | Descriptor: | CALCIUM ION, Prephenate dehydrogenase, SULFATE ION | | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-08 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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1HVJ
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1FU8
 | | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | | Deposit date: | 2000-09-14 | | Release date: | 2000-10-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
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1XM1
 | | Nonbasic Thrombin Inhibitor Complex | | Descriptor: | Hirudin, N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE, thrombin | | Authors: | Friedrich, R, Bode, W, Schwienhorst, A. | | Deposit date: | 2004-10-01 | | Release date: | 2005-05-10 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nonbasic Thrombin Inhibitor Complex
To be Published
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1HVI
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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5VA1
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1HVK
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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1FXO
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1HVS
 | | STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. | | Deposit date: | 1994-11-17 | | Release date: | 1995-02-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase.
Nat.Struct.Biol., 2, 1995
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1HVL
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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5UOG
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form | | Descriptor: | NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION | | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-01-31 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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3ONW
 | | Structure of a G-alpha-i1 mutant with enhanced affinity for the RGS14 GoLoco motif. | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, Regulator of G-protein signaling 14, ... | | Authors: | Bosch, D, Kimple, A.J, Sammond, D.W, Miley, M.J, Machius, M, Kuhlman, B, Willard, F.S, Siderovski, D.P. | | Deposit date: | 2010-08-30 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein {alpha} Subunit Mutants.
J.Biol.Chem., 286, 2011
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2EVC
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1HTD
 | | STRUCTURAL INTERACTION OF NATURAL AND SYNTHETIC INHIBITORS WITH THE VENOM METALLOPROTEINASE, ATROLYSIN C (HT-D) | | Descriptor: | ATROLYSIN C, CALCIUM ION, ZINC ION | | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | | Deposit date: | 1994-01-20 | | Release date: | 1995-09-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Proc.Natl.Acad.Sci.USA, 91, 1994
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1G6T
 | | STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE | | Descriptor: | EPSP SYNTHASE, FORMIC ACID, PHOSPHATE ION, ... | | Authors: | Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W. | | Deposit date: | 2000-11-07 | | Release date: | 2001-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4BI4
 | | Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. | | Descriptor: | GLYCEROL, SSP1 C50A MUTANT | | Authors: | Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. | | Deposit date: | 2013-04-09 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens
Acta Crystallogr.,Sect.D, 69, 2013
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1IGW
 | | Crystal Structure of the Isocitrate Lyase from the A219C mutant of Escherichia coli | | Descriptor: | Isocitrate lyase, MAGNESIUM ION, MERCURY (II) ION, ... | | Authors: | Britton, K.L, Abeysinghe, I.S.B, Baker, P.J, Barynin, V, Diehl, P, Langridge, S.J, McFadden, B.A, Sedelnikova, S.E, Stillman, T.J, Weeradechapon, K, Rice, D.W. | | Deposit date: | 2001-04-18 | | Release date: | 2001-09-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure and domain organization of Escherichia coli isocitrate lyase.
Acta Crystallogr.,Sect.D, 57, 2001
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4GBX
 | | Crystal structure of an immune complex at pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DM alpha chain, ... | | Authors: | Sethi, D.K, Pos, W, Wucherpfennig, K.W. | | Deposit date: | 2012-07-28 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the HLA-DM-HLA-DR1 Complex Defines Mechanisms for Rapid Peptide Selection.
Cell(Cambridge,Mass.), 151, 2012
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2CNM
 | | RimI - Ribosomal S18 N-alpha-protein acetyltransferase in complex with a bisubstrate inhibitor (Cterm-Arg-Arg-Phe-Tyr-Arg-Ala-N-alpha- acetyl-S-CoA). | | Descriptor: | 30S RIBOSOMAL PROTEIN S18, COENZYME A, MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18 | | Authors: | Vetting, M.W, Yu, M, Bareich, D.C, Blanchard, J.S. | | Deposit date: | 2006-05-22 | | Release date: | 2007-05-22 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Rimi from Salmonella Typhimurium Lt2, the Gnat Responsible for N{Alpha}- Acetylation of Ribosomal Protein S18.
Protein Sci., 17, 2008
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2K4L
 | | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | | Descriptor: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | | Authors: | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | | Deposit date: | 2008-06-13 | | Release date: | 2008-10-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.
Biochemistry, 47, 2008
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4AYC
 | | RNF8 RING domain structure | | Descriptor: | CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF8, GLYCEROL, ... | | Authors: | Mattiroli, F, Vissers, J.H.A, Van Dijk, W.J, Ikpa, P, Citterio, E, Vermeulen, W, Marteijn, J.A, Sixma, T.K. | | Deposit date: | 2012-06-20 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rnf168 Ubiquitinates K13-15 on H2A/H2Ax to Drive DNA Damage Signaling
Cell(Cambridge,Mass.), 150, 2012
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4BB5
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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3OVO
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1ZZU
 | | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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3ZPZ
 | | Visualizing GroEL-ES in the Act of Encapsulating a Non-Native Substrate Protein | | Descriptor: | 10 KDA CHAPERONIN, 60 KDA CHAPERONIN, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, D.-H, Madan, D, Weaver, J, Lin, Z, Schroder, G.F, Chiu, W, Rye, H.S. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-19 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Visualizing Groel/Es in the Act of Encapsulating a Folding Protein
Cell(Cambridge,Mass.), 153, 2013
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