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5KNM
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Human leukocyte antigen F (HLA-F) presents peptides and regulates immunity through interactions with NK-cell receptors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Leukocyte immunoglobulin-like receptor subfamily B member 1, ...
著者Dulberger, C.L, Adams, E.J.
登録日2016-06-28
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Human Leukocyte Antigen F Presents Peptides and Regulates Immunity through Interactions with NK Cell Receptors.
Immunity, 46, 2017
1H80
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1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE- 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 4 GALACTOHYDROLASE
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Michel, G, Chantalat, L, Dideberg, O.
登録日2001-01-22
公開日2001-11-27
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Iota-Carrageenase of Alteromonas Fortis. A Beta-Helix Fold-Containing Enzyme for the Degradation of a Highly Polyanionic Polysaccharide
J.Biol.Chem., 276, 2001
2HIS
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BU of 2his by Molmil
CELLULOMONAS FIMI XYLANASE/CELLULASE DOUBLE MUTANT E127A/H205N WITH COVALENT CELLOBIOSE
分子名称: CELLULOMONAS FIMI FAMILY 10 BETA-1,4-GLYCANASE, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Notenboom, V, Birsan, C, Nitz, M, Rose, D.R, Warren, R.A.J, Wither, S.G.
登録日1998-02-23
公開日1998-10-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Insights into transition state stabilization of the beta-1,4-glycosidase Cex by covalent intermediate accumulation in active site mutants.
Nat.Struct.Biol., 5, 1998
8RZB
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BU of 8rzb by Molmil
IL-1beta in complex with covalent DEL hit
分子名称: 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta
著者Rondeau, J.-M, Lehmann, S.
登録日2024-02-12
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
1GRR
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BU of 1grr by Molmil
CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH 2-Nac-CHLORAMPHENICOL FROM STREPTOMYCES VENEZUELAE
分子名称: CHLORAMPHENICOL 3-O PHOSPHOTRANSFERASE, N-ACETYL-P-NITROPHENYLSERINOL, SULFATE ION
著者Izard, T.
登録日2001-12-15
公開日2002-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Chloramphenicol Tolerance in Streptomyces Venezuelae by Chloramphenicol Phosphotransferase Activity
Protein Sci., 10, 2001
1CB7
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GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM RECONSTITUTED WITH METHYL-COBALAMIN
分子名称: CO-METHYLCOBALAMIN, D(-)-TARTARIC ACID, PROTEIN (GLUTAMATE MUTASE)
著者Gruber, K, Reitzer, R, Kratky, C.
登録日1999-03-03
公開日2000-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights.
Structure Fold.Des., 7, 1999
1CCN
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DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL
分子名称: CRAMBIN
著者Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R.
登録日1993-04-14
公開日1993-10-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Direct NOE refinement of biomolecular structures using 2D NMR data
J.Biomol.NMR, 1, 1991
5KKN
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Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630
分子名称: 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2
著者Wang, R, Paul, D, Tong, L.
登録日2016-06-22
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
1CCW
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STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM
分子名称: CYANOCOBALAMIN, D(-)-TARTARIC ACID, PROTEIN (GLUTAMATE MUTASE)
著者Reitzer, R, Gruber, K, Kratky, C.
登録日1999-03-01
公開日2000-03-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights
Structure Fold.Des., 7, 1999
1GZB
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PEROXIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEROXIDASE, ...
著者Fukuyama, K, Kunishima, N, Amada, F.
登録日1996-11-13
公開日1997-03-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Pentacoordination of the heme iron of Arthromyces ramosus peroxidase shown by a 1.8 A resolution crystallographic study at pH 4.5.
FEBS Lett., 378, 1996
1H1D
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BU of 1h1d by Molmil
Catechol O-Methyltransferase
分子名称: 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE, CATECHOL-O-METHYLTRANSFERASE, MAGNESIUM ION, ...
著者Archer, M, Rodrigues, M.L, Matias, P.M, Bonifacio, M.J, Learmonth, D.A, Soares-da-Silva, P, Carrondo, M.A.
登録日2002-07-12
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetics and Crystal Structure of Catechol-O-Methyltransferase Complex with Co-Substrate and a Novel Inhibitor with Potential Therapeutic Application
Mol.Pharmacol., 62, 2002
1CC4
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BU of 1cc4 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
著者Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
登録日1999-03-04
公開日1999-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
1CCM
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BU of 1ccm by Molmil
DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL
分子名称: CRAMBIN
著者Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R.
登録日1993-04-14
公開日1993-10-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献"Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin.
Proteins, 15, 1993
1GOH
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BU of 1goh by Molmil
NOVEL THIOETHER BOND REVEALED BY A 1.7 ANGSTROMS CRYSTAL STRUCTURE OF GALACTOSE OXIDASE
分子名称: GALACTOSE OXIDASE, SODIUM ION
著者Ito, N, Phillips, S.E.V, Knowles, P.F.
登録日1993-09-30
公開日1994-01-31
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel thioether bond revealed by a 1.7 A crystal structure of galactose oxidase.
Nature, 350, 1991
2HIU
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BU of 2hiu by Molmil
NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES
分子名称: INSULIN
著者Hua, Q.X, Gozani, S.N, Chance, R.E, Hoffmann, J.A, Frank, B.H, Weiss, M.A.
登録日1996-10-08
公開日1997-04-01
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure of a protein in a kinetic trap.
Nat.Struct.Biol., 2, 1995
1CCD
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REFINED STRUCTURE OF RAT CLARA CELL 17 KDA PROTEIN AT 3.0 ANGSTROMS RESOLUTION
分子名称: CLARA CELL 17 kD PROTEIN, SULFATE ION
著者Umland, T.C, Swaminathan, S, Furey, W, Singh, G, Pletcher, J, Sax, M.
登録日1991-09-17
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Refined structure of rat Clara cell 17 kDa protein at 3.0 A resolution.
J.Mol.Biol., 224, 1992
1KGQ
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Crystal Structure of Tetrahydrodipicolinate N-Succinyltransferase in Complex with L-2-aminopimelate and Succinamide-CoA
分子名称: (2S)-2-aminoheptanedioic acid, 2,3,4,5-TETRAHYDROPYRIDINE-2-CARBOXYLATE N-SUCCINYLTRANSFERASE, SUCCINAMIDE-COA
著者Beaman, T.W, Vogel, K.W, Drueckhammer, D.G, Blanchard, J.S, Roderick, S.L.
登録日2001-11-28
公開日2002-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acyl group specificity at the active site of tetrahydridipicolinate N-succinyltransferase.
Protein Sci., 11, 2002
1C5G
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PLASMINOGEN ACTIVATOR INHIBITOR-1
分子名称: PLASMINOGEN ACTIVATOR INHIBITOR-1
著者Goldsmith, E.J.
登録日1999-12-07
公開日1999-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering of plasminogen activator inhibitor-1 to reduce the rate of latency transition.
Nat.Struct.Biol., 2, 1995
2C93
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thrombin inhibitors
分子名称: DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ...
著者Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M.
登録日2005-12-09
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2Y0E
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BceC and the final step of UGDs reaction
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C.
登録日2010-12-02
公開日2011-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
J.Bacteriol., 193, 2011
3FTX
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BU of 3ftx by Molmil
Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUI
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Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
2C8Z
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thrombin inhibitors
分子名称: 1-(3-CHLOROPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ...
著者Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M.
登録日2005-12-08
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
3FU0
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Leukotriene A4 hydrolase in complex with fragment 4-(4-fluorobenzoyl)pyridine
分子名称: (4-fluorophenyl)(pyridin-4-yl)methanone, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUH
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Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin
分子名称: 1H-indol-5-ol, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009

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