6FYO
 
 | | X-RAY STRUCTURE OF CLK1-KD(148-484)/Cpd-2 AT 2.32A | | Descriptor: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK1, SULFATE ION | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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1G2W
 | | E177S MUTANT OF THE PYRIDOXAL-5'-PHOSPHATE ENZYME D-AMINO ACID AMINOTRANSFERASE | | Descriptor: | ACETATE ION, D-ALANINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Lepore, B.W, Ringe, D. | | Deposit date: | 2000-10-21 | | Release date: | 2000-11-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on an Active Site Residue, E177, That Affects Binding of the Coenzyme in D-Amino Acid Transaminase, and Mechanistic Studies on a Suicide Substrate
Biochemistry and Molecular Biology of Vitamin B6 and PQQ-dependent Proteins, 10th Annual International Symposium on Vitamin B6, 2000
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6FO5
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
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6FYR
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A | | Descriptor: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK3 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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1G35
 | | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | | Descriptor: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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6GDC
 | | Human Carbonic Anhydrase II in complex with Benzenesulfonamide | | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, MERCURY (II) ION, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2018-04-23 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.079 Å) | | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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1G2K
 | | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | | Descriptor: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2000-10-20 | | Release date: | 2001-06-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
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1GGO
 | | T453A MUTANT OF PYRUVATE, PHOSPHATE DIKINASE | | Descriptor: | PROTEIN (PYRUVATE, PHOSPHATE DIKINASE), SULFATE ION | | Authors: | Li, Z, Herzberg, O. | | Deposit date: | 2000-08-29 | | Release date: | 2001-01-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of domain-domain docking sites within Clostridium symbiosum pyruvate phosphate dikinase by amino acid replacement.
J.Biol.Chem., 275, 2000
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1FWA
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1GH9
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2BKJ
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6FYV
 | | X-RAY STRUCTURE OF CLK4-KD(146-480)/CX-4945 AT 2.46A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK4, SULFATE ION | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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1H2O
 | | SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W | | Descriptor: | MAJOR ALLERGEN PRU AV 1 | | Authors: | Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P. | | Deposit date: | 2002-08-12 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
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6FNX
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1 | | Descriptor: | 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4 | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-05 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
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1GW9
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6FYI
 | | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYP
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/CX-4945 AT 2.29A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK3 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FSJ
 | | Crystal structure of TCE-treated Lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C | | Authors: | Pichlo, C, Baumann, U. | | Deposit date: | 2018-02-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1GWD
 | | Tri-iodide derivative of hen egg-white lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ... | | Authors: | Evans, G, Bricogne, G. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-06 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
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1GWG
 | | Tri-iodide derivative of apoferritin | | Descriptor: | CADMIUM ION, FERRITIN LIGHT CHAIN, IODIDE ION | | Authors: | Evans, G, Bricogne, G. | | Deposit date: | 2002-03-15 | | Release date: | 2002-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
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6H0C
 | | Flv1 flavodiiron core from Synechocystis sp. PCC6803 | | Descriptor: | CHLORIDE ION, CITRATE ANION, Putative diflavin flavoprotein A 3 | | Authors: | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | | Deposit date: | 2018-07-08 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803.
J. Struct. Biol., 205, 2019
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5A7B
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1GWA
 | | Triiodide derivative of porcine pancreas elastase | | Descriptor: | CALCIUM ION, ELASTASE 1, IODIDE ION, ... | | Authors: | Evans, G, Bricogne, G. | | Deposit date: | 2002-03-13 | | Release date: | 2002-06-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
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6G02
 | | Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2018-03-15 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
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1HT8
 | | THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC | | Descriptor: | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | | Deposit date: | 2000-12-29 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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