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1O3J
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
3DF9
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Crystal structure of E. coli MTA/SAH nucleosidase in complex with BnT-DADMeImmA
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol, MTA/SAH nucleosidase
著者Siu, K.K.W, Howell, P.L.
登録日2008-06-11
公開日2009-03-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Staphylococcus aureus 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Acta Crystallogr.,Sect.F, 64, 2008
8IJ8
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Crystal structure of alcohol dehydrogenase M4 mutant from Burkholderia gladioli
分子名称: Putative short-chain dehydrogenases/reductase family protein
著者Han, X, Mei, Z.L, Liu, W.D, Sun, Z.T, Ma, J.A.
登録日2023-02-26
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of alcohol dehydrogenase M4 mutant from Burkholderia gladioli
To Be Published
8IHZ
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FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
分子名称: 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
1O45
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687.
分子名称: N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
8IGZ
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BU of 8igz by Molmil
Xcc NAMPT Quadruple mutant
分子名称: Pre-B cell enhancing factor related protein
著者Xu, G.L, Ming, Z.H.
登録日2023-02-21
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural insights into Xanthomonas campestris pv. campestris NAD + biosynthesis via the NAM salvage pathway.
Commun Biol, 7, 2024
1O43
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129.
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
8I5N
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Rat Kir4.1 in complex with PIP2 and Lys05
分子名称: ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Zhao, C, Guo, J.
登録日2023-01-26
公開日2024-02-28
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
1O4F
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BU of 1o4f by Molmil
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073.
分子名称: 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
8IJQ
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BU of 8ijq by Molmil
The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide
分子名称: N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-02-27
公開日2024-02-28
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
1O4K
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN.
分子名称: BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
8IH8
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anti-sigmaF factor and Anti-sigmaF factor antagonist complex(usfx-RsfB)
分子名称: Anti-sigma-F factor RsbW, Anti-sigma-F factor antagonist RsfB, GLYCEROL
著者Chen, Y.J, Su, D.
登録日2023-02-22
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High resolutions crystal structure of anti-sigmaF factor and Anti-sigmaF factor antagonist complex(usfx-RsfB)
To Be Published
1O49
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BU of 1o49 by Molmil
CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493.
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
4GLL
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BU of 4gll by Molmil
Crystal structure of human UDP-xylose synthase.
分子名称: GUANIDINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Wood, Z.A, Polizzi, S.J.
登録日2012-08-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human UDP-alpha-d-xylose Synthase and Escherichia coli ArnA Conserve a Conformational Shunt That Controls Whether Xylose or 4-Keto-Xylose Is Produced.
Biochemistry, 51, 2012
1O50
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Crystal structure of a cbs domain-containing protein (tm0935) from thermotoga maritima at 1.87 A resolution
分子名称: CBS domain-containing predicted protein TM0935
著者Joint Center for Structural Genomics (JCSG)
登録日2003-07-31
公開日2003-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of a tandem cystathionine-beta-synthase (CBS) domain protein (TM0935) from Thermotoga maritima at 1.87 A resolution
Proteins, 57, 2004
3D8L
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BU of 3d8l by Molmil
Crystal structure of ORF12 from the lactococcus lactis bacteriophage p2
分子名称: ORF12
著者Siponen, M.I, Spinelli, S, Lichiere, J, Moineau, S, Cambillau, C, Campanacci, V.
登録日2008-05-23
公開日2009-04-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of ORF12 from Lactococcus lactis phage p2 identifies a tape measure protein chaperone
J.Bacteriol., 191, 2009
3DG7
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Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone
分子名称: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2008-06-12
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
1O4G
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59.
分子名称: HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
1O5I
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Crystal structure of 3-oxoacyl-(acyl carrier protein) reductase (TM1169) from Thermotoga maritima at 2.50 A resolution
分子名称: 3-oxoacyl-(acyl carrier protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Joint Center for Structural Genomics (JCSG)
登録日2003-09-17
公開日2003-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of 3-oxoacyl-(acyl carrier protein) reductase (TM1169) from Thermotoga maritima at 2.50 A resolution
To be published
8IG4
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Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
1O4M
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CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID.
分子名称: MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC
著者Lange, G, Loenze, P, Liesum, A.
登録日2003-06-15
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
J.Med.Chem., 46, 2003
8IH6
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Crystal structure of decarboxylase-hydratase complex from Pseudomonas species AP-3
分子名称: 2-oxopent-4-enoate hydratase, 4-oxalocrotonate decarboxylase, GLYCEROL
著者Shi, Q.L, Su, D.
登録日2023-02-22
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.519 Å)
主引用文献Crystal structure of decarboxylase-hydratase complex from Pseudomonas species AP-3
To Be Published
3D9F
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Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane
分子名称: 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2008-05-27
公開日2009-04-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
7SPD
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Crystal Structure of The Tetramerization Domain (29-147) From Human Voltage-gated Potassium Channel Kv2.1 in C 2 2 21 Space Group
分子名称: DI(HYDROXYETHYL)ETHER, Potassium voltage-gated channel subfamily B member 1, ZINC ION
著者Xu, Z, Schnicker, N, Baker, S.
登録日2021-11-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pentameric assembly of the Kv2.1 tetramerization domain.
Acta Crystallogr D Struct Biol, 78, 2022
8IHA
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Polyketone cyclase Rv2186c in Mycobacterium tuberculosis H37Rv
分子名称: Polyketide cyclase / dehydrase and lipid transport
著者Chen, Y.J, Su, D.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of polyketone cyclase Rv2186c in Mycobacterium tuberculosis H37Rv
To Be Published

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件を2024-09-25に公開中

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