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PDB: 46226 件

4IYO
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BU of 4iyo by Molmil
Crystal structure of cystathionine gamma lyase from Xanthomonas oryzae pv. oryzae (XometC) in complex with E-site serine, A-site serine, A-site external aldimine structure with aminoacrylate and A-site iminopropionate intermediates
分子名称: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMINO-ACRYLATE, Cystathionine gamma-lyase-like protein, ...
著者Ngo, H.P.T, Kim, J.K, Kang, L.W.
登録日2013-01-29
公開日2014-01-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PLP undergoes conformational changes during the course of an enzymatic reaction.
Acta Crystallogr.,Sect.D, 70, 2014
1TOF
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BU of 1tof by Molmil
THIOREDOXIN H (OXIDIZED FORM), NMR, 23 STRUCTURES
分子名称: THIOREDOXIN H
著者Mittard, V, Blackledge, M.J, Stein, M, Jacquot, J.-P, Marion, D, Lancelin, J.-M.
登録日1996-05-30
公開日1996-12-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure of an oxidised thioredoxin h from the eukaryotic green alga Chlamydomonas reinhardtii.
Eur.J.Biochem., 243, 1997
2X00
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BU of 2x00 by Molmil
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
分子名称: GYMNODIMINE A, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
登録日2009-12-04
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IHY
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BU of 3ihy by Molmil
Human PIK3C3 crystal structure
分子名称: Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Siponen, M.I, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-07-31
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human PIK3C3 crystal structure
TO BE PUBLISHED
6YSN
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BU of 6ysn by Molmil
Human TRPC5 in complex with Pico145 (HC-608)
分子名称: 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione, Maltose/maltodextrin-binding periplasmic protein,Short transient receptor potential channel 5
著者Wright, D.J, Johnson, R.M, Muench, S.P, Bon, R.S.
登録日2020-04-22
公開日2020-12-02
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Human TRPC5 structures reveal interaction of a xanthine-based TRPC1/4/5 inhibitor with a conserved lipid binding site.
Commun Biol, 3, 2020
6QFR
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Structure of the mitogen activated kinase kinase 7 dfg-out conformation
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
4Y1A
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BU of 4y1a by Molmil
immune complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
著者Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
登録日2015-02-07
公開日2015-09-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
8GNB
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BU of 8gnb by Molmil
structure of human connexin 40.1 side-by-side decamer channel by cryoEM
分子名称: Gap junction delta-4 protein
著者Zhang, H, Wang, D.P.
登録日2022-08-23
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献structure of human connexin 40.1 side-by-side decamer channel by cryoEM
To Be Published
6QGV
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BU of 6qgv by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167)
分子名称: 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ...
著者Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J.
登録日2019-01-13
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
1P1Y
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BU of 1p1y by Molmil
Crystal structure of a continuous three-dimensional DNA lattice from d(GGACAGATGGGAG)
分子名称: 5'-D(*GP*GP*AP*(CBR)P*AP*GP*AP*(BRU)P*GP*GP*GP*AP*G)-3', MAGNESIUM ION
著者Paukstelis, P.J, Nowakowski, J, Birktoft, J.J, Seeman, N.C.
登録日2003-04-14
公開日2004-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a continuous three-dimensional DNA lattice.
Chem.Biol., 11, 2004
4XZU
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BU of 4xzu by Molmil
Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody
分子名称: 3E6 antibody Fab heavy chain, 3E6 antibody Fab light chain, Coagulation factor VIII, ...
著者Spiegel, P.C, Wuerth, M.E.
登録日2015-02-05
公開日2015-12-09
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of the Human Factor VIII C2 Domain in Complex with the 3E6 Inhibitory Antibody.
Sci Rep, 5, 2015
6QG4
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BU of 6qg4 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h
分子名称: 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6TVT
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BU of 6tvt by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN
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, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-10
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
4LEZ
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BU of 4lez by Molmil
Structure of mouse cGAS bound to an 18bp DNA and cGAS product
分子名称: 18bp dsDNA, Cyclic GMP-AMP synthase, ZINC ION, ...
著者Li, P.
登録日2013-06-26
公開日2013-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
6ZA0
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BU of 6za0 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum (P21212 space group)
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A, Legrand, P.
登録日2020-06-04
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6H41
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BU of 6h41 by Molmil
Structure of the complex of the IL-5 inhibitory peptide AF17121 bound to the IL-5 receptor IL-5Ralpha
分子名称: Interleukin-5 receptor subunit alpha, VAL-ASP-GLU-CYS-TRP-ARG-ILE-ILE-ALA-SER-HIS-THR-TRP-PHE-CYS-ALA-GLU-GLU
著者Mueller, T.D, Scheide, J.P.
登録日2018-07-20
公開日2018-12-26
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Basis of Interleukin-5 Inhibition by the Small Cyclic Peptide AF17121.
J. Mol. Biol., 431, 2019
3WCJ
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BU of 3wcj by Molmil
The complex structure of HsSQS wtih ligand,E5700
分子名称: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
6YYH
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BU of 6yyh by Molmil
Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum in ligand-free form
分子名称: 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ...
著者Lafite, P, Daniellou, R, Bretagne, D.
登録日2020-05-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
3SRN
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BU of 3srn by Molmil
STRUCTURAL CHANGES THAT ACCOMPANY THE REDUCED CATALYTIC EFFICIENCY OF TWO SEMISYNTHETIC RIBONUCLEASE ANALOGS
分子名称: RIBONUCLEASE A, SULFATE ION
著者deMel, V.S.J, Martin, P.D, Doscher, M.S, Edwards, B.F.P.
登録日1991-05-20
公開日1994-12-20
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural changes that accompany the reduced catalytic efficiency of two semisynthetic ribonuclease analogs.
J.Biol.Chem., 267, 1992
3IS7
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BU of 3is7 by Molmil
Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution
分子名称: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
6YZS
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BU of 6yzs by Molmil
Carborane closo-pentyl-sulfonamide in complex with CA II
分子名称: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, SODIUM ION, ...
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-05-07
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
5MRB
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BU of 5mrb by Molmil
Crystal structure of human Mps1 (TTK) in complex with Cpd-5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ...
著者Hiruma, Y, Joosten, R.P, Perrakis, A.
登録日2016-12-22
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
8QFR
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Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with nickel and substrate (anaerobic)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with nickel and substrate (anaerobic)
To Be Published
3IEP
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Firefly luciferase apo structure (P41 form)
分子名称: Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X2K
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BU of 2x2k by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010

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