6DKO
 
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid | | Descriptor: | 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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1G3G
 | | NMR STRUCTURE OF THE FHA1 DOMAIN OF YEAST RAD53 | | Descriptor: | PROTEIN KINASE SPK1 | | Authors: | Yuan, C, Liao, H, Su, M, Yongkiettrakul, S, Byeon, I.-J.L, Tsai, M.-D. | | Deposit date: | 2000-10-24 | | Release date: | 2001-01-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the FHA1 domain of yeast Rad53 and identification of binding sites for both FHA1 and its target protein Rad9
J.Mol.Biol., 304, 2000
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1G5R
 | | THE THREE-DIMENSIONAL STRUCTURE OF ATP:CORRINOID ADENOSYLTRANSFERASE FROM SALMONELLA TYPHIMURIUM. APO FORM | | Descriptor: | CHLORIDE ION, COB(I)ALAMIN ADENOSYLTRANSFERASE | | Authors: | Rayment, I, Escalante-Semerena, J.C, Bauer, C.B. | | Deposit date: | 2000-11-02 | | Release date: | 2000-11-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structure of ATP:corrinoid adenosyltransferase from Salmonella typhimurium in its free state, complexed with MgATP, or complexed with hydroxycobalamin and MgATP.
Biochemistry, 40, 2001
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4O5I
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5VDN
 | | 1.55 Angstrom Resolution Crystal Structure of Glutathione Reductase from Yersinia pestis in Complex with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Glutathione oxidoreductase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-04-03 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1.55 Angstrom Resolution Crystal Structure of Glutathione Reductase from Yersinia pestis in Complex with FAD.
To Be Published
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5DZZ
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6NHP
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3FYT
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1Y9J
 | | Solution structure of the rat Sly1 N-terminal domain | | Descriptor: | Sec1 family domain containing protein 1 | | Authors: | Arac, D, Dulubova, I, Pei, J, Huryeva, I, Grishin, N.V, Rizo, J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-02-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional Structure of the rSly1 N-terminal Domain Reveals a Conformational Change Induced by Binding to Syntaxin 5.
J.Mol.Biol., 346, 2005
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6FVN
 | | DNA polymerase sliding clamp from Mycobacterium tuberculosis with bound P7 peptide | | Descriptor: | Beta sliding clamp, P7 peptide | | Authors: | Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.142 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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2FK0
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Stevens, J, Wilson, I.A. | | Deposit date: | 2006-01-03 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure and Receptor Specificity of the Hemagglutinin from an H5N1 Influenza Virus.
Science, 312, 2006
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5EBW
 | | KcsA with G77ester mutation | | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | | Authors: | Matulef, K, Valiyaveetil, F.I. | | Deposit date: | 2015-10-19 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
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5DRI
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4F86
 | | Structure analysis of Geranyl diphosphate methyltransferase in complex with GPP and sinefungin | | Descriptor: | GERANYL DIPHOSPHATE, Geranyl diphosphate 2-C-methyltransferase, MAGNESIUM ION, ... | | Authors: | Ariyawutthiphan, O, Ose, T, Minami, A, Gao, Y.G, Yao, M, Oikawa, H, Tanaka, I. | | Deposit date: | 2012-05-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure analysis of geranyl pyrophosphate methyltransferase and the proposed reaction mechanism of SAM-dependent C-methylation
Acta Crystallogr.,Sect.D, 68, 2012
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5A7O
 | | Crystal structure of human JMJD2A in complex with compound 42 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6FZZ
 | | Crystal structure of BSE31 (BSPA14S_RS05060 gene product) from Lyme disease agent Borrelia (Borreliella) spielmanii | | Descriptor: | TETRAETHYLENE GLYCOL, Virulent strain associated lipoprotein | | Authors: | Brangulis, K, Akopjana, I, Kazaks, A, Tars, K. | | Deposit date: | 2018-03-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Biochim Biophys Acta Gen Subj, 1864, 2019
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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3QNL
 | | Crystal structure of PrTX-I complexed to Rosmarinic Acid | | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ISOPROPYL ALCOHOL, ... | | Authors: | dos Santos, J.I, Fontes, M.R.M. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and Functional Studies of a Bothropic Myotoxin Complexed to Rosmarinic Acid: New Insights into Lys49-PLA(2) Inhibition.
Plos One, 6, 2011
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5A2L
 | | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5EC2
 | | KcsA with V76ester+G77dA mutations | | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | | Authors: | Matulef, K, Valiyaveetil, F.I. | | Deposit date: | 2015-10-20 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
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3I6O
 | | Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... | | Authors: | Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2009-07-07 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
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3FYU
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3NEE
 | | Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1) | | Descriptor: | GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid | | Authors: | Trivella, D.B.B, Polikarpov, I. | | Deposit date: | 2010-06-08 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011
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7D5B
 | | BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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1MDV
 | | KEY ROLE OF PHENYLALANINE 20 IN CYTOCHROME C3: STRUCTURE, STABILITY AND FUNCTION STUDIES | | Descriptor: | CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dolla, A, Arnoux, P, Protasevich, I, Lobachov, V, Brugna, M, Guidici-Orticoni, M.T, Haser, R, Czjzek, M, Makarov, A, Brushi, M. | | Deposit date: | 1998-09-08 | | Release date: | 1999-05-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Key role of phenylalanine 20 in cytochrome c3: structure, stability, and function studies.
Biochemistry, 38, 1999
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