2BSH
 
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4ZRN
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2BSJ
 | | Native Crystal Structure of the Type III Secretion chaperone SycT from Yersinia enterocolitica | | Descriptor: | CHAPERONE PROTEIN SYCT, CHLORIDE ION | | Authors: | Buttner, C.R, Cornelis, G.R, Heinz, D.W, Niemann, H.H. | | Deposit date: | 2005-05-21 | | Release date: | 2005-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of Yersinia Enterocolitica Type III Secretion Chaperone Syct.
Protein Sci., 14, 2005
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1YXE
 | | Structure and inter-domain interactions of domain II from the blood stage malarial protein, apical membrane antigen 1 | | Descriptor: | apical membrane antigen 1 | | Authors: | Feng, Z.P, Keizer, D.W, Stevenson, R.A, Yao, S, Babon, J.J, Murphy, V.J, Anders, R.F, Norton, R.S. | | Deposit date: | 2005-02-21 | | Release date: | 2005-07-05 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structure and Inter-domain Interactions of Domain II from the Blood-stage Malarial Protein, Apical Membrane Antigen 1.
J.Mol.Biol., 350, 2005
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1YYQ
 | | Y305F Trichodiene Synthase complexed with pyrophosphate | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, Trichodiene synthase | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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1ZD3
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-butyric acid complex | | Descriptor: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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2BWP
 | | 5-Aminolevulinate Synthase from Rhodobacter capsulatus in complex with glycine | | Descriptor: | 5-AMINOLEVULINATE SYNTHASE, ACETIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Authors: | Astner, I, Schulze, J.O, Van Den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W. | | Deposit date: | 2005-07-15 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
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5AGV
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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4ZUO
 | | Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a hydroxamate inhibitor | | Descriptor: | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, AMMONIUM ION, Acetylpolyamine aminohydrolase, ... | | Authors: | Decroos, C, Christianson, D.W. | | Deposit date: | 2015-05-17 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
Biochemistry, 54, 2015
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2C2T
 | | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate | | Descriptor: | (S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | Authors: | leung, A.K.W, reynolds, R.C, riordan, J.M, borhani, D.W. | | Deposit date: | 2005-09-30 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
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2C16
 | | 5-(4-Carboxy-2-oxo-butane-1-sulfinyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | Deposit date: | 2005-09-11 | | Release date: | 2006-06-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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2C14
 | | 5-(4-Carboxy-2-oxo-butylamino)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | Deposit date: | 2005-09-11 | | Release date: | 2006-06-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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2BEO
 | | PrfA, Transcriptional Regulator In Listeria Monocytogenes | | Descriptor: | ACETAMIDE, CHLORIDE ION, GLUTAMINE, ... | | Authors: | Eiting, M, Hagelueken, G, Schubert, W.-D, Heinz, D.W. | | Deposit date: | 2004-11-26 | | Release date: | 2005-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif
Mol.Microbiol., 56, 2005
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2BGC
 | | PrfA-G145S, a constitutive active mutant of the Transcriptional Regulator In L.monocytogenes | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PRFA | | Authors: | Eiting, M, Hagelueken, G, Schubert, W.-D, Heinz, D.W. | | Deposit date: | 2004-12-20 | | Release date: | 2005-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif
Mol.Microbiol., 56, 2005
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2BOH
 | | Crystal structure of factor Xa in complex with compound "1" | | Descriptor: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | Deposit date: | 2005-04-11 | | Release date: | 2006-04-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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2BQ7
 | | Crystal structure of factor Xa in complex with 43 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | | Authors: | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | Deposit date: | 2005-04-27 | | Release date: | 2006-04-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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2C19
 | | 5-(4-Carboxy-2-oxo-butylsulfanyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, SODIUM ION | | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | | Deposit date: | 2005-09-11 | | Release date: | 2006-06-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
Biochemistry, 45, 2006
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2BMG
 | | Crystal structure of factor Xa in complex with 50 | | Descriptor: | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Schreuder, H, Matter, H, Will, D.W, Nazare, M, Laux, V, Wehner, V, Loenze, P, Liesum, A. | | Deposit date: | 2005-03-14 | | Release date: | 2006-03-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-Ray Crystallography, 3D-Qsar and Tailored Scoring Functions
J.Med.Chem., 48, 2005
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2BKB
 | | q69e-FeSOD | | Descriptor: | FE (II) ION, SUPEROXIDE DISMUTASE [FE] | | Authors: | Yikilmaz, E, Rodgers, D.W, Miller, A.-F. | | Deposit date: | 2005-02-14 | | Release date: | 2007-01-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crucial Importance of Chemistry in the Structure-Function Link: Manipulating Hydrogen Bonding in Iron-Containing Superoxide Dismutase.
Biochemistry, 45, 2006
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2AET
 | | R304K trichodiene synthase: Complex with Mg, pyrophosphate, and (4S)-7-azabisabolene | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-23 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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1ZSA
 | | CARBONIC ANHYDRASE II MUTANT E117Q, APO FORM | | Descriptor: | CARBONIC ANHYDRASE II | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1996-01-09 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
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1ZSB
 | | CARBONIC ANHYDRASE II MUTANT E117Q, TRANSITION STATE ANALOGUE ACETAZOLAMIDE | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1996-01-09 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
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1ZSC
 | | CARBONIC ANHYDRASE II MUTANT E117Q, HOLO FORM | | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1996-01-09 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
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4YGW
 | | RNase S in complex with stabilized S peptide | | Descriptor: | 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ... | | Authors: | Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E. | | Deposit date: | 2015-02-26 | | Release date: | 2015-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4YPI
 | | Structure of Ebola virus nucleoprotein N-terminal fragment bound to a peptide derived from Ebola VP35 | | Descriptor: | Nucleoprotein, Polymerase cofactor VP35 | | Authors: | Leung, D.W, Borek, D.M, Binning, J.M, Otwinowski, Z, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | An Intrinsically Disordered Peptide from Ebola Virus VP35 Controls Viral RNA Synthesis by Modulating Nucleoprotein-RNA Interactions.
Cell Rep, 11, 2015
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