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PDB: 34568 件

6W35
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A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
著者Cuozzo, J.W.
登録日2020-03-09
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
5C3R
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Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-hydroxymethyluracil (5hmU)
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 5-HYDROXYMETHYL URACIL, ...
著者Li, W, Zhang, T, Ding, J.
登録日2015-06-17
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
6Z07
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PqsR (MvfR) in complex with antagonist 12
分子名称: 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2020-05-07
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
1YBJ
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BU of 1ybj by Molmil
Structural and Dynamics studies of both apo and holo forms of the hemophore HasA
分子名称: Hemophore HasA
著者Wolff, N, Izadi-Pruneyre, N, Couprie, J, Habeck, M, Linge, J, Rieping, W, Wandersman, C, Nilges, M, Delepierre, M, Lecroisey, A.
登録日2004-12-21
公開日2005-12-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Comparative analysis of structural and dynamic properties of the loaded and unloaded hemophore HasA: functional implications.
J.Mol.Biol., 376, 2008
1YJX
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Crystal structure of human B type phosphoglycerate mutase
分子名称: CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1
著者Wang, Y, Wei, Z, Liu, L, Gong, W.
登録日2005-01-16
公開日2005-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human B-type phosphoglycerate mutase bound with citrate.
Biochem.Biophys.Res.Commun., 331, 2005
5YNV
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BU of 5ynv by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, aromatic prenyltransferase
著者Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-10-25
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
3FHJ
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Independent saturation of three TrpRS subsites generates a partially-assembled state similar to those observed in molecular simulations
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ...
著者Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W.
登録日2008-12-09
公開日2009-02-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations.
Proc.Natl.Acad.Sci.Usa, 106, 2009
6Z5K
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PqsR (MvfR) in complex with antagonist 18
分子名称: 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2020-05-26
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
1OGW
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Synthetic Ubiquitin with fluoro-Leu at 50 and 67
分子名称: UBIQUITIN
著者Alexeev, D, Ramage, R, Young, D.W, Sawyer, L.
登録日2003-05-13
公開日2003-05-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Synthesis, Structural and Biological Studies of Ubiquitin Mutants Containing (2S, 4S)-5-Fluoroleucine Residues Strategically Placed in the Hydrophobic Core
Chembiochem, 4, 2003
1YDA
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BU of 1yda by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Nair, S.K, Christianson, D.W.
登録日1994-12-22
公開日1995-02-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
1YE9
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Crystal structure of proteolytically truncated catalase HPII from E. coli
分子名称: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, catalase HPII
著者Loewen, P.C, Chelikani, P, Carpena, X, Fita, I, Perez-Luque, R, Donald, L.J, Switala, J, Duckworth, H.W.
登録日2004-12-28
公開日2005-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization of a Large Subunit Catalase Truncated by Proteolytic Cleavage(,)
Biochemistry, 44, 2005
5UED
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BU of 5ued by Molmil
RNA primer-template complex with guanosine dinucleotide ligand G(5')pp(5')G
分子名称: RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Zhang, W, Tam, C.P, Szostak, J.W.
登録日2017-01-01
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7OPQ
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BU of 7opq by Molmil
Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188
分子名称: 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ...
著者Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
登録日2021-06-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
7OPR
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Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
登録日2021-06-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
2C4B
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BU of 2c4b by Molmil
Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARNASE MCOEETI FUSION, ...
著者Niemann, H.H, Schmoldt, H.U, Wentzel, A, Kolmar, H, Heinz, D.W.
登録日2005-10-18
公開日2005-11-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Barnase Fusion as a Tool to Determine the Crystal Structure of the Small Disulfide-Rich Protein Mcoeeti.
J.Mol.Biol., 356, 2006
4E45
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Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM
分子名称: Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ...
著者Fox III, D, Zhao, Y, Yang, W, Weidong, W.
登録日2012-03-12
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
3SZ5
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BU of 3sz5 by Molmil
Crystal Structure of LHK-Exo in complex with 5-phosphorylated oligothymidine (dT)4
分子名称: 5'-D(P*TP*TP*TP*T)-3', Exonuclease, MAGNESIUM ION
著者Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z.
登録日2011-07-18
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
2E74
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Crystal Structure of the Cytochrome b6f Complex from M.laminosus
分子名称: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ...
著者Cramer, W.A, Yamashita, E, Zhang, H.
登録日2007-01-05
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n)
J.Mol.Biol., 370, 2007
1PTF
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THE 1.6 ANGSTROMS STRUCTURE OF HISTIDINE-CONTAINING PHOSPHOTRANSFER PROTEIN HPR FROM STREPTOCOCCUS FAECALIS
分子名称: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR
著者Jia, Z, Quail, W, Delbaere, L.
登録日1993-10-04
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The 1.6 A structure of histidine-containing phosphotransfer protein HPr from Streptococcus faecalis.
J.Mol.Biol., 236, 1994
7PB4
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Cenp-HIK 3-protein complex
分子名称: Centromere protein H, Centromere protein I, Centromere protein K
著者Bellini, D, Yatskevich, S, Muir, W.K, Barford, D.
登録日2021-07-30
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7P9J
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Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 - Primer Initiation Complex
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, COBALT (II) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Li, A.W.H, Doherty, A.J.
登録日2021-07-27
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the initiation of DNA primer synthesis.
Nature, 605, 2022
1XC1
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Oxo Zirconium(IV) Cluster in the Ferric Binding Protein (FBP)
分子名称: OXO ZIRCONIUM(IV) CLUSTER, periplasmic iron-binding protein
著者Zhong, W, Alexeev, D, Harvey, I, Guo, M, Hunter, D.J.B, Zhu, H, Campopiano, D.J, Sadler, P.J.
登録日2004-08-31
公開日2004-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft
Angew.Chem.Int.Ed.Engl., 43, 2004
7OC5
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Alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
1PWJ
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Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of Domain Swapped Dimer Assembly
分子名称: dynein light chain-2
著者Wang, W, Lo, K.W.-H, Kan, H.-M, Fan, J.-S, Zhang, M.
登録日2003-07-02
公開日2003-10-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of the Domain-swapped Dimer Assembly
J.Biol.Chem., 278, 2003
7OC6
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Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ...
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021

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