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1XXF
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BU of 1xxf by Molmil
Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP)
分子名称: Coagulation factor XI, Ecotin, SODIUM ION
著者Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2004-11-04
公開日2004-11-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
2ISJ
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BU of 2isj by Molmil
BluB bound to oxidized FMN
分子名称: BluB, FLAVIN MONONUCLEOTIDE
著者Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C.
登録日2006-10-17
公開日2007-03-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
6B7B
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BU of 6b7b by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole
分子名称: 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
2J15
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BU of 2j15 by Molmil
Cyclic MrIA: An exceptionally stable and potent cyclic conotoxin with a novel topological fold that targets the norepinephrine transporter.
分子名称: MAI126P
著者Lovelace, E.S, Armishaw, C.J, Colgrave, M.L, Walstrom, M.E, Alewood, P.F, Daly, N.L, Craik, D.J.
登録日2006-08-09
公開日2006-11-01
最終更新日2018-05-09
実験手法SOLUTION NMR
主引用文献Cyclic MrIA: a stable and potent cyclic conotoxin with a novel topological fold that targets the norepinephrine transporter.
J. Med. Chem., 49, 2006
7TUJ
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BU of 7tuj by Molmil
NMR solution structure of the phosphorylated MUS81-binding region from human SLX4
分子名称: Structure-specific endonuclease subunit SLX4
著者Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M.
登録日2022-02-02
公開日2022-10-19
最終更新日2022-11-09
実験手法SOLUTION NMR
主引用文献Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
4YYO
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BU of 4yyo by Molmil
Resting state of rat cysteine dioxygenase C164S variant
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-03-24
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
5AE6
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BU of 5ae6 by Molmil
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ...
著者Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T.
登録日2015-08-26
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
4H1T
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BU of 4h1t by Molmil
X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.924 Å)
主引用文献X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution.
TO BE PUBLISHED
3J8K
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BU of 3j8k by Molmil
Tilted state of actin, T2
分子名称: Actin, alpha skeletal muscle
著者Galkin, V.E, Orlova, A, Vos, M.R, Schroder, G.F, Egelman, E.H.
登録日2014-11-07
公開日2015-01-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
1ADG
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BU of 1adg by Molmil
CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN
分子名称: ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION
著者Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M.
登録日1993-10-18
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin.
Biochemistry, 33, 1994
6OAF
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BU of 6oaf by Molmil
Sudan virus nucleoprotein core domain in complex with VP35 chaperoning peptide
分子名称: Polymerase cofactor VP35,Nucleoprotein
著者Landeras-Bueno, S, Oda, S, Norris, M.J, Li Salie, Z, Ollmann Saphire, E.
登録日2019-03-15
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sudan Ebolavirus VP35-NP Crystal Structure Reveals a Potential Target for Pan-Filovirus Treatment.
Mbio, 10, 2019
5IFE
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BU of 5ife by Molmil
Crystal structure of the human SF3b core complex
分子名称: PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ...
著者Cretu, C, Dybkov, O, De Laurentiis, E, Will, C.L, Luhrmann, R, Pena, V.
登録日2016-02-25
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations.
Mol.Cell, 64, 2016
7M4U
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BU of 7m4u by Molmil
A. baumannii Ribosome-Eravacycline complex: 30S
分子名称: 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
2PAN
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BU of 2pan by Molmil
Crystal structure of E. coli glyoxylate carboligase
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ...
著者Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B.
登録日2007-03-27
公開日2008-01-01
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
4H4G
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BU of 4h4g by Molmil
Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264
分子名称: (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
著者Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-09-17
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
7M4Z
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BU of 7m4z by Molmil
A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4V
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BU of 7m4v by Molmil
A. baumannii Ribosome-Eravacycline complex: 50S
分子名称: 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4W
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BU of 7m4w by Molmil
A. baumannii Ribosome-Eravacycline complex: Empty 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
7M4X
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BU of 7m4x by Molmil
A. baumannii Ribosome-Eravacycline complex: P-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
4A6Z
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BU of 4a6z by Molmil
Cytochrome c peroxidase with bound guaiacol
分子名称: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ...
著者Murphy, E.J, Metcalfe, C.L, Nnamchi, C, Raven, E.L, Moody, P.C.E.
登録日2011-11-10
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
3KJ2
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BU of 3kj2 by Molmil
Mcl-1 in complex with Bim BH3 mutant F4aE
分子名称: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Fire, E, Grant, R.A, Keating, A.E.
登録日2009-11-02
公開日2010-02-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
2IHD
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BU of 2ihd by Molmil
Crystal structure of Human Regulator of G-protein signaling 8, RGS8
分子名称: CHLORIDE ION, Regulator of G-protein signaling 8
著者Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-09-26
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3P0J
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BU of 3p0j by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, triclinic crystal form 1
分子名称: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, SODIUM ION, Tyrosyl-tRNA synthetase
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-09-28
公開日2011-03-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
1T74
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BU of 1t74 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif
分子名称: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
登録日2004-05-07
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004

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