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PDB: 22172 件

8EDR
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E. coli pyruvate kinase (PykF) P70Q
分子名称: Pyruvate kinase, SULFATE ION
著者Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
登録日2022-09-05
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EEY
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BU of 8eey by Molmil
Cas7-11 in complex with DR-mismatched target RNA, Csx29 and Csx30
分子名称: Cas7-11, Csx29, Csx30, ...
著者Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
登録日2022-09-07
公開日2022-11-16
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
6QG4
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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
4O4P
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BU of 4o4p by Molmil
Structure of P450 BM3 A82F F87V in complex with S-omeprazol
分子名称: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Leys, D.
登録日2013-12-19
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3.
Biochem.J., 460, 2014
8DOF
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BU of 8dof by Molmil
Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
分子名称: (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ...
著者Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-07-13
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044
To Be Published
6QLJ
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Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP
分子名称: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
8E3Z
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BU of 8e3z by Molmil
Cryo-EM structure of the VPAC1R-VIP-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
8E3Y
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BU of 8e3y by Molmil
Cryo-EM structure of the VPAC1R-PACAP27-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
4NZ4
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BU of 4nz4 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and zinc ion
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
6Q7B
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BU of 6q7b by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.009 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
4O43
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BU of 4o43 by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
6Q45
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BU of 6q45 by Molmil
F1-ATPase from Fusobacterium nucleatum
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M.
登録日2018-12-05
公開日2019-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
6Q6P
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BU of 6q6p by Molmil
Antarctic fish cytoglobin 1 from D.mawsoni
分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C.
登録日2018-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
6QHO
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BU of 6qho by Molmil
Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1a
分子名称: 1-[(3~{R})-3-(4-azanylpyrazolo[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2019-01-17
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 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
6QEJ
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BU of 6qej by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2019-06-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
6QFR
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BU of 6qfr by Molmil
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
4O2P
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Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine
分子名称: 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Richters, A, Rauh, D.
登録日2013-12-17
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J.Med.Chem., 58, 2015
6Q6C
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BU of 6q6c by Molmil
Pore-modulating toxins exploit inherent slow inactivation to block K+ channels
分子名称: 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ...
著者Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E.
登録日2018-12-10
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
6Q6H
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Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D2 box class
分子名称: Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 13, ...
著者Zhang, S, Barford, D.
登録日2018-12-11
公開日2019-09-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cyclin A2 degradation during the spindle assembly checkpoint requires multiple binding modes to the APC/C.
Nat Commun, 10, 2019
4O5G
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BU of 4o5g by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
分子名称: (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ...
著者Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
登録日2013-12-19
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
6QJS
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Crystal structure of a DNA dodecamer containing a tetramethylpiperidinoxyl (nitroxide) spin label
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*(S6M)P*GP*CP*G)-3')
著者Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E.
登録日2019-01-24
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
8EG3
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Structure of human placental steroid (estrone/DHEA) sulfatase at 2.0 angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHATE ION, ...
著者Ghosh, D.
登録日2022-09-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of human placental steroid sulfatase at 2.0 angstrom resolution: Catalysis, quaternary association, and a secondary ligand site.
J.Steroid Biochem.Mol.Biol., 227, 2022
4O2X
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Structure of a malarial protein
分子名称: Maltose-binding periplasmic protein, ATP-dependent Clp protease adaptor protein ClpS containing protein chimeric construct
著者AhYoung, A.P, Koehl, A, Cascio, D, Egea, P.F.
登録日2013-12-17
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a putative ClpS N-end rule adaptor protein from the malaria pathogen Plasmodium falciparum.
Protein Sci., 25, 2016
6Q5V
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1-Cys SiPrx, a Prx6-family 1-Cys peroxiredoxin of the thermoacidophilic archaeon Sulfolobus islandicus
分子名称: Peroxiredoxin
著者Stroobants, S, Maes, D, Peeters, E, van Molle, I.
登録日2018-12-09
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Structure of the Prx6-subfamily 1-Cys peroxiredoxin from Sulfolobus islandicus.
Acta Crystallogr.,Sect.F, 75, 2019

222415

件を2024-07-10に公開中

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