2MGF
 
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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2MGA
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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2MGC
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Arduini, R.M, Quillin, M.L, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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2MGG
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2MGK
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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6XND
 | | Avidin-Biotin-Phenol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin, N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | | Authors: | Ahmadvand, P, Kang, C. | | Deposit date: | 2020-07-02 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A Ligand-Directed Nitrophenol Carbonate for Transient in situ Bioconjugation and Drug Delivery
Chemmedchem, 15, 2020
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2BY4
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT. | | Descriptor: | (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Jensen, A.L, Moller, J.V, Soehoel, H, Denmeade, S.R, Isaacs, J.T, Olsen, C.E, Christensen, S.B, Nissen, P. | | Deposit date: | 2005-07-28 | | Release date: | 2006-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells
Bioorg.Med.Chem., 14, 2006
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2EH5
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2MGD
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2MGJ
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7K42
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-09-14 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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6B1Z
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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8JYD
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1AOP
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2MGL
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2HXT
 | | Crystal structure of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and D-erythronohydroxamate | | Descriptor: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, L-fuconate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
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6XIO
 | | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | | Deposit date: | 2020-06-20 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes.
J.Biol.Chem., 296, 2020
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2JCL
 | | Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in the absence of ligands | | Descriptor: | N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, SULFATE ION | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-26 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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2JCO
 | | Crystal structure of wild type alpha-1,3 Galactosyltransferase in the absence of ligands | | Descriptor: | GLYCEROL, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL TRANSFERASE | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-28 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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8TQP
 | | HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | | Deposit date: | 2023-08-08 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
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5T3K
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1CK6
 | | BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN (PEROXIDASE), ... | | Authors: | Fukuyama, K, Itakura, H. | | Deposit date: | 1999-04-28 | | Release date: | 1999-12-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding of salicylhydroxamic acid and several aromatic donor molecules to Arthromyces ramosus peroxidase, investigated by X-ray crystallography, optical difference spectroscopy, NMR relaxation, molecular dynamics, and kinetics.
Biochemistry, 38, 1999
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8G36
 | | Crystal structure of F182L-CYP199A4 in complex with terephthalic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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8G35
 | | Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid | | Descriptor: | 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Lee, J.H.Z, Bell, S.G, Bruning, J.B. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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