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PDB: 34568 件

8SCR
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BU of 8scr by Molmil
Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 4h
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Fang, Z, Lelyveld, V.S, Szostak, J.W.
登録日2023-04-05
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity.
Science, 382, 2023
6Y0R
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Chitooligosaccharide oxidase
分子名称: Chitooligosaccharide oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Savino, S, Fraaije, M.W.
登録日2020-02-10
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Analysis of the structure and substrate scope of chitooligosaccharide oxidase reveals high affinity for C2-modified glucosamines.
Febs Lett., 594, 2020
8SCS
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BU of 8scs by Molmil
Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 8h
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Fang, Z, Lelyveld, V.S, Szostak, J.W.
登録日2023-04-05
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity.
Science, 382, 2023
5AGV
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BU of 5agv by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
8SCT
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BU of 8sct by Molmil
Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 24h
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Fang, Z, Lelyveld, V.S, Szostak, J.W.
登録日2023-04-05
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity.
Science, 382, 2023
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
8SCU
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BU of 8scu by Molmil
Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 48h (Product State)
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
著者Fang, Z, Lelyveld, V.S, Szostak, J.W.
登録日2023-04-05
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Trivalent rare earth metal cofactors confer rapid NP-DNA polymerase activity.
Science, 382, 2023
1IF0
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BU of 1if0 by Molmil
PSEUDO-ATOMIC MODEL OF BACTERIOPHAGE HK97 PROCAPSID (PROHEAD II)
分子名称: PROTEIN (MAJOR CAPSID PROTEIN GP5)
著者Conway, J.F, Wikoff, W.R, Cheng, N, Duda, R.L, Hendrix, R.W, Johnson, J.E, Steven, A.C.
登録日2001-04-11
公開日2001-05-02
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Virus maturation involving large subunit rotations and local refolding.
Science, 292, 2001
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-15
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
分子名称: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2021-06-14
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-13
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
To Be Published
5DZB
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BU of 5dzb by Molmil
6beta1
分子名称: 6beta1
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-25
公開日2016-08-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
6U7O
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BU of 6u7o by Molmil
HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Wang, Y.-F, Kneller, D.W, Weber, I.T.
登録日2019-09-03
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies.
Chemmedchem, 14, 2019
5AA8
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BU of 5aa8 by Molmil
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
3HM6
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BU of 3hm6 by Molmil
Crystal structure of the cytoplasmic domain of human plexin B1
分子名称: Plexin-B1, UNKNOWN ATOM OR ION, Unknown peptide
著者Tong, Y, He, H, Shen, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-05-28
公開日2009-06-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structure and function of the intracellular region of the plexin-b1 transmembrane receptor.
J.Biol.Chem., 284, 2009
5XS4
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BU of 5xs4 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5DQA
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BU of 5dqa by Molmil
t3284 loop variant of beta1
分子名称: t3284
著者Kabasakal, B.V, MacDonald, J.T, Murray, W.W.
登録日2015-09-14
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
4HO8
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BU of 4ho8 by Molmil
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and thymidine
分子名称: Glucose-1-phosphate thymidylyltransferase, SULFATE ION, THYMIDINE, ...
著者Chen, T.J, Chien, W.T, Lin, C.C, Wang, W.C.
登録日2012-10-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with UDP-glucose and thymidine
TO BE PUBLISHED
8I7L
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BU of 8i7l by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor
分子名称: 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE
著者Li, K, Liu, W, Dong, X.
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy.
J Immunol., 209, 2022
4PQG
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BU of 4pqg by Molmil
Crystal structure of the pneumococcal O-GlcNAc transferase GtfA in complex with UDP and GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, URIDINE-5'-DIPHOSPHATE
著者Shi, W.W, Jiang, Y.L, Zhu, F, Yang, Y.H, Wu, H, Ren, Y.M, Chen, Y, Zhou, C.Z.
登録日2014-03-03
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a Novel O-Linked N-Acetyl-d-glucosamine (O-GlcNAc) Transferase, GtfA, Reveals Insights into the Glycosylation of Pneumococcal Serine-rich Repeat Adhesins.
J.Biol.Chem., 289, 2014
3NV6
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BU of 3nv6 by Molmil
Crystal Structure of Camphor-Bound CYP101D2
分子名称: CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
著者Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-07-08
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
4M9X
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BU of 4m9x by Molmil
Crystal structure of CED-4 bound CED-3 fragment
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ...
著者Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G.
登録日2013-08-15
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.344 Å)
主引用文献Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
1WVB
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BU of 1wvb by Molmil
Crystal structure of human arginase I: the mutant E256Q
分子名称: Arginase 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
著者Di Costanzo, L, Guadalupe, S, Mora, A, Centeno, F, Christianson, D.W.
登録日2004-12-14
公開日2005-09-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human arginase I: the mutant E256Q
To be Published
1P7S
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BU of 1p7s by Molmil
T4 LYSOZYME CORE REPACKING MUTANT V103I/TA
分子名称: LYSOZYME
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-05-05
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
7MX0
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The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-05-17
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
To Be Published

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件を2024-08-21に公開中

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