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PDB: 45697 件

4UMX
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IDH1 R132H in complex with cpd 1
分子名称: 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ...
著者Mathieu, M, Marquette, J.P.
登録日2014-05-22
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
4UOP
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Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes
分子名称: CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ...
著者Campeotto, I, Freemont, P, Grundling, A.
登録日2014-06-06
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system.
J. Biol. Chem., 289, 2014
4UEE
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Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH
分子名称: (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION
著者Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
登録日2014-12-17
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
4UEZ
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Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH
分子名称: (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION
著者Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
登録日2014-12-22
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
4UNT
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Induced monomer of the Mcg variable domain
分子名称: IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
著者Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C.M, Whitelegge, J.P, Phillips, M.L, Cascio, D, Sawaya, M.R, Eisenberg, D.S.
登録日2014-05-30
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4UIR
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Structure of oleate hydratase from Elizabethkingia meningoseptica
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ...
著者Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K.
登録日2015-04-02
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
4UN0
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Crystal structure of the human CDK12-cyclinK complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-05-22
公開日2014-06-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
4UHT
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Crystal structure of the DNA binding domain of CpxR from E. coli
分子名称: CHLORIDE ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR
著者Mechaly, A.E, Alzari, P.M.A.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Conformational plasticity of the response regulator CpxR, a key player in Gammaproteobacteria virulence and drug-resistance.
J. Struct. Biol., 204, 2018
4WCC
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Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WDB
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Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UQJ
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Cryo-EM density map of GluA2em in complex with ZK200775
分子名称: GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
著者Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
登録日2014-06-24
公開日2014-08-13
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (10.4 Å)
主引用文献Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
4UUP
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Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ...
著者Steindel, P.A, Chen, E.H, Theobald, D.L.
登録日2014-07-29
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
4UQZ
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Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
分子名称: ACETATE ION, HSIB1, HSIE1
著者Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
登録日2014-06-25
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
RNA, 20, 2014
4V0G
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BU of 4v0g by Molmil
JAK3 in complex with a covalent EGFR inhibitor
分子名称: N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3
著者Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X.
登録日2014-09-16
公開日2016-01-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
1MFM
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BU of 1mfm by Molmil
MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION
分子名称: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
著者Ferraroni, M, Rypniewski, W, Wilson, K.S, Orioli, P.L, Viezzoli, M.S, Banci, L, Bertini, I, Mangani, S.
登録日1999-04-16
公開日1999-04-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The crystal structure of the monomeric human SOD mutant F50E/G51E/E133Q at atomic resolution. The enzyme mechanism revisited.
J.Mol.Biol., 288, 1999
8EG4
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[iU:Ag+:iU] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5IU)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5IU)P*AP*CP*A*(AG))-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2022-09-10
公開日2023-04-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (4.18 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 35, 2023
4FNH
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Crystal structure of IsdI-W66Y in complex with heme
分子名称: Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE
著者Ukpabi, G.N, Murphy, M.E.P.
登録日2012-06-19
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
8EVE
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HUMAN DNA POLYMERASE ETA INSERTION COMPLEX
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Pallan, P.S, Egli, M.
登録日2022-10-20
公開日2023-08-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta.
J.Biol.Chem., 299, 2023
7ONU
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Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr
分子名称: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ...
著者Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S.
登録日2021-05-26
公開日2021-08-11
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of RNA processing by human mitochondrial RNase P.
Nat.Struct.Mol.Biol., 28, 2021
6KEA
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crystal structure of MBP-tagged REV7-IpaB complex
分子名称: Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3
著者Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
登録日2019-07-04
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
8DQG
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Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone
分子名称: (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ...
著者Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2022-07-19
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
8DQI
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Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth
分子名称: (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2022-07-19
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
8DQH
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Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth
分子名称: (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2022-07-19
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
3UDW
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Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains
著者Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C.
登録日2011-10-28
公開日2012-03-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
6JZ7
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b-glucuronidase from Ruminococcus gnavus in complex with N1-substituted uronic isofagomine
分子名称: (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid, Beta-glucuronidase
著者Dashnyam, P, Lin, H.Y.
登録日2019-04-30
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020

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件を2024-07-10に公開中

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