1STD
 
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1J5X
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1T8I
 | | Human DNA Topoisomerase I (70 Kda) In Complex With The Poison Camptothecin and Covalent Complex With A 22 Base Pair DNA Duplex | | Descriptor: | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | | Authors: | Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B. | | Deposit date: | 2004-05-12 | | Release date: | 2005-05-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
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2H3G
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2CZL
 | | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8 (Cys11 modified with beta-mercaptoethanol) | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | Authors: | Arai, R, Nishino, A, Nagano, K, Kamo-Uchikubo, T, Nishimoto, M, Toyama, M, Terada, T, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-13 | | Release date: | 2006-01-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8.
J.Struct.Biol., 168, 2009
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2MH6
 | | Solution structure of DNA duplex containing N3T-ethylene-N1I interstrand cross-link | | Descriptor: | 5'-D(*CP*AP*GP*TP*TP*CP*CP*A)-3', 5'-D(*TP*GP*GP*AP*IP*CP*TP*G)-3' | | Authors: | Denisov, A.Y, O'Flaherty, D.K, Noronha, A.M, Wilds, C.J. | | Deposit date: | 2013-11-18 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of an Ethylene Interstrand Cross-Linked DNA which Mimics the Lesion Formed by 1,3-Bis(2-chloroethyl)-1-nitrosourea.
Chemmedchem, 9, 2014
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3RXS
 | | Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3D7K
 | | Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION | | Authors: | Brandt, G.S. | | Deposit date: | 2008-05-21 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester
Biochemistry, 47, 2008
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3CEN
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1KCT
 | | ALPHA1-ANTITRYPSIN | | Descriptor: | ALPHA1-ANTITRYPSIN | | Authors: | Song, H.K, Suh, S.W. | | Deposit date: | 1996-08-06 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Crystal structure of an uncleaved alpha 1-antitrypsin reveals the conformation of its inhibitory reactive loop.
FEBS Lett., 377, 1995
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2D1J
 | | Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide | | Descriptor: | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE, CALCIUM ION, Coagulation factor X, ... | | Authors: | Suzuki, M. | | Deposit date: | 2005-08-24 | | Release date: | 2006-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites.
Bioorg.Med.Chem., 13, 2005
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2RA2
 | | X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A. Northeast Structural Genomics Consortium target StR88A | | Descriptor: | Putative lipoprotein | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-14 | | Release date: | 2007-10-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A.
To be Published
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3OW6
 | | Crystal Structure of HSP90 with N-Aryl-benzimidazolone I | | Descriptor: | 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | | Authors: | Park, C.H. | | Deposit date: | 2010-09-17 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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1BTU
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID | | Descriptor: | (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid, CALCIUM ION, ELASTASE, ... | | Authors: | Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 1998-09-01 | | Release date: | 1999-02-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex.
Biochemistry, 37, 1998
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1UDE
 | | Crystal structure of the Inorganic pyrophosphatase from the hyperthermophilic archaeon Pyrococcus horikoshii OT3 | | Descriptor: | Inorganic pyrophosphatase | | Authors: | Liu, B, Gao, R, Zhou, W, Bartlam, M, Rao, Z. | | Deposit date: | 2003-04-29 | | Release date: | 2004-01-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Crystal structure of the hyperthermophilic inorganic pyrophosphatase from the archaeon Pyrococcus horikoshii.
Biophys.J., 86, 2004
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3COV
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form | | Descriptor: | ETHANOL, GLYCEROL, Pantothenate synthetase, ... | | Authors: | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | | Deposit date: | 2008-03-29 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
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1UB0
 | | Crystal Structure Analysis of Phosphomethylpyrimidine Kinase (ThiD) from Thermus Thermophilus Hb8 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Phosphomethylpyrimidine Kinase, ... | | Authors: | Bagautdinov, B, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-03-26 | | Release date: | 2003-04-08 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of 4-amino-5-hydroxymethyl-2-methyl pyrimidine phosphate kinase (HMPP kinase) from Thermus thermophilus HB8.
Eur.Biophys.J., 54, 2025
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3OUM
 | | Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin | | Descriptor: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, toxoflavin-degrading enzyme | | Authors: | Kim, M.I, Rhee, S. | | Deposit date: | 2010-09-15 | | Release date: | 2011-08-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
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3CWC
 | | Crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative glycerate kinase 2 | | Authors: | Osipiuk, J, Zhou, M, Holzle, D, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-04-21 | | Release date: | 2008-07-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | X-ray crystal structure of putative glycerate kinase 2 from Salmonella typhimurium LT2.
To be Published
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2OYC
 | | Crystal structure of human pyridoxal phosphate phosphatase | | Descriptor: | Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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3OWR
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4KBY
 | | mSTING/c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of interferon genes protein | | Authors: | Chin, K.H, Su, Y.C, Tu, J.L, Chou, S.H. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Novel c-di-GMP recognition modes of the mouse innate immune adaptor protein STING
Acta Crystallogr.,Sect.D, 69, 2013
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1KVW
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3CWF
 | | Crystal structure of PAS domain of two-component sensor histidine kinase | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase synthesis sensor protein phoR | | Authors: | Chang, C, Tesar, C, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-21 | | Release date: | 2008-05-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Extracytoplasmic PAS-like domains are common in signal transduction proteins.
J.Bacteriol., 192, 2010
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2OSH
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