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4KXU
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BU of 4kxu by Molmil
Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate
分子名称: 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ...
著者Neumann, P, Luedtke, S, Ficner, R, Tittmann, K.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
4MAT
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BU of 4mat by Molmil
E.COLI METHIONINE AMINOPEPTIDASE HIS79ALA MUTANT
分子名称: PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION
著者Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W.
登録日1999-03-29
公開日1999-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
2DDB
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BU of 2ddb by Molmil
Crystal structure of pseudecin from Pseudechis porphyriacus
分子名称: FORMIC ACID, GLYCEROL, Pseudecin, ...
著者Suzuki, N, Yamazaki, Y, Fujimoto, Z, Morita, T, Mizuno, H.
登録日2006-01-25
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels: implications for movement of the C-terminal cysteine-rich domain
Acta Crystallogr.,Sect.D, 64, 2008
4M1N
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BU of 4m1n by Molmil
Crystal structure of Plasmodium falciparum ubiquitin conjugating enzyme UBC9
分子名称: SODIUM ION, Ubiquitin conjugating enzyme UBC9
著者Boucher, L.E, Reiter, K.H, Bosch, J, Matunis, J.M.
登録日2013-08-03
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Biochemically Distinct Properties of the Small Ubiquitin-related Modifier (SUMO) Conjugation Pathway in Plasmodium falciparum.
J.Biol.Chem., 288, 2013
4M7P
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BU of 4m7p by Molmil
Ensemble refinement of protein crystal structure of macrolide glycosyltransferases OleD
分子名称: Oleandomycin glycosyltransferase, SODIUM ION
著者Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2013-08-12
公開日2013-09-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of macrolide glycosyltransferases OleD
To be Published
1JAX
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BU of 1jax by Molmil
Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO)
分子名称: MAGNESIUM ION, SODIUM ION, conserved hypothetical protein
著者Warkentin, E, Mamat, B, Thauer, R, Ermler, U, Shima, S.
登録日2001-06-01
公開日2001-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of F420H2:NADP+ oxidoreductase with and without its substrates bound.
EMBO J., 20, 2001
4L8G
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BU of 4l8g by Molmil
Crystal Structure of K-Ras G12C, GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LCI
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BU of 4lci by Molmil
Anti canine CD28 antibody, 1C6
分子名称: FORMIC ACID, GLYCEROL, SODIUM ION, ...
著者Gewe, M.M, Rupert, P.B, Strong, R.K.
登録日2013-06-21
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Anti canine CD28 antibody, 1C6
To be Published
1WBQ
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BU of 1wbq by Molmil
ZnMg substituted aminopeptidase P from E. coli
分子名称: CHLORIDE ION, MAGNESIUM ION, XAA-PRO AMINOPEPTIDASE, ...
著者Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
登録日2004-11-05
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
4M0W
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BU of 4m0w by Molmil
Crystal Structure of SARS-CoV papain-like protease C112S mutant in complex with ubiquitin
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Replicase polyprotein 1a, ...
著者Chou, C.-Y, Chen, H.-Y, Lai, H.-Y, Cheng, S.-C, Chou, Y.-W.
登録日2013-08-02
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for catalysis and ubiquitin recognition by the severe acute respiratory syndrome coronavirus papain-like protease
Acta Crystallogr.,Sect.D, 70, 2014
4M4O
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BU of 4m4o by Molmil
Crystal structure of the aptamer minE-lysozyme complex
分子名称: Lysozyme C, MAGNESIUM ION, RNA (59-MER), ...
著者Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-08-07
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the aptamer minE-lysozyme complex
to be published
4M8T
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BU of 4m8t by Molmil
RSK2 T493M C-Terminal Kinase Domain in complex with 3-(3-(1H-pyrazol-4-yl)phenyl)-2-cyanoacrylamide
分子名称: (2E)-2-cyano-3-[3-(1H-pyrazol-4-yl)phenyl]prop-2-enamide, Ribosomal protein S6 kinase alpha-3, SODIUM ION
著者Miller, R.M, Taunton, J.
登録日2013-08-13
公開日2014-10-22
最終更新日2014-11-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
2DDA
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BU of 2dda by Molmil
Crystal structure of pseudechetoxin from Pseudechis australis
分子名称: FORMIC ACID, GLYCEROL, Pseudechetoxin, ...
著者Suzuki, N, Yamazaki, Y, Fujimoto, Z, Morita, T, Mizuno, H.
登録日2006-01-25
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels: implications for movement of the C-terminal cysteine-rich domain
Acta Crystallogr.,Sect.D, 64, 2008
4LXI
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BU of 4lxi by Molmil
Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA
分子名称: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION
著者Bhowmik, S, Bolin, J.T.
登録日2013-07-29
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase.
Biochemistry, 52, 2013
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
著者Wohlwend, D.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
4LDK
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BU of 4ldk by Molmil
FAD-linked sulfhydryl oxidase ALR mutation
分子名称: FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION
著者Dong, M, Ramadan, S, Thorpe, C, Bahnson, B.
登録日2013-06-24
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献FAD-linked sulfhydryl oxidase ALR mutation
To be Published
4L8P
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BU of 4l8p by Molmil
Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution
分子名称: Bile acid 7a-dehydratase, BaiE, NICKEL (II) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-06-17
公開日2013-08-21
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution
To be published
4L5R
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BU of 4l5r by Molmil
Crystal structure of p202 HIN1 in complex with 20-mer dsDNA
分子名称: 20-mer DNA, Interferon-activable protein 202, SODIUM ION
著者Yin, Q, Tian, Y, Wu, H.
登録日2013-06-11
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.873 Å)
主引用文献Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation.
Cell Rep, 4, 2013
1S9G
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BU of 1s9g by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394.
分子名称: 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1SUQ
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BU of 1suq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R185545
分子名称: (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL, MAGNESIUM ION, REVERSE TRANSCRIPTASE
著者Das, K, Arnold, E.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
4LHL
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BU of 4lhl by Molmil
Structure of the N-terminal domain of the Flo1 adhesin (N-Flo1p) from the yeast Saccharomyces cerevisiae
分子名称: Flocculation protein FLO1, SODIUM ION
著者Ielasi, F.S, Willaert, R.G.
登録日2013-07-01
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Molecular mechanism of flocculation self-recognition in yeast and its role in mating and survival.
MBio, 6, 2015
2BHD
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BU of 2bhd by Molmil
Mg substituted E. coli Aminopeptidase P in complex with product
分子名称: CITRATE ANION, MAGNESIUM ION, VALINE-PROLINE-LEUCINE TRIPEPTIDE, ...
著者Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
登録日2005-01-10
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
2BHA
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BU of 2bha by Molmil
E. coli Aminopeptidase P in complex with substrate
分子名称: CITRATE ANION, MAGNESIUM ION, VALINE-PROLINE-LEUCINE, ...
著者Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
登録日2005-01-08
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
1EAU
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BU of 1eau by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE
分子名称: 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ...
著者Ceccarelli, C.
登録日1994-11-22
公開日1995-02-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995

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