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1Z4R
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BU of 1z4r by Molmil
Human GCN5 Acetyltransferase
分子名称: ACETYL COENZYME *A, General control of amino acid synthesis protein 5-like 2
著者Dong, A, Bernstein, G, Schuetz, A, Antoshenko, T, Wu, H, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Plotnikov, A, Structural Genomics Consortium (SGC)
登録日2005-03-16
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A
Proteins, 68, 2007
2AGT
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BU of 2agt by Molmil
Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A.
登録日2005-07-27
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex
J.Med.Chem., 48, 2005
4GAB
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BU of 4gab by Molmil
Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
著者Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
登録日2012-07-25
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5971 Å)
主引用文献X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013
6DHE
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BU of 6dhe by Molmil
RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution
分子名称: (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
分子名称: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
著者Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2016-06-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
4K7B
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BU of 4k7b by Molmil
Crystal structure of Extrinsic protein in photosystem II
分子名称: Extrinsic protein in photosystem II, GLYCEROL, SULFATE ION
著者Nagao, R, Suga, M, Niikura, A, Okumura, A, Koua, F.H.M, Suzuki, T, Tomo, T, Enami, I, Shen, J.R.
登録日2013-04-16
公開日2013-09-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of Psb31, a Novel Extrinsic Protein of Photosystem II from a Marine Centric Diatom and Implications for Its Binding and Function
Biochemistry, 52, 2013
6XB0
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BU of 6xb0 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
6QY1
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BU of 6qy1 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
4CD0
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BU of 4cd0 by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol
分子名称: (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-29
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
3QUF
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BU of 3quf by Molmil
The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
分子名称: ACETIC ACID, Extracellular solute-binding protein, family 1, ...
著者Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-23
公開日2011-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis
TO BE PUBLISHED
4CFV
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BU of 4cfv by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
8P5S
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BU of 8p5s by Molmil
Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum
分子名称: 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ...
著者Yang, L, Boyko, A, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
2MHK
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BU of 2mhk by Molmil
E. coli LpoA N-terminal domain
分子名称: Penicillin-binding protein activator LpoA
著者Jean, N.L, Bougault, C, Lodge, A, Derouaux, A, Callens, G, Egan, A, Lewis, R.J, Vollmer, W, Simorre, J.
登録日2013-11-26
公開日2014-06-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Elongated Structure of the Outer-Membrane Activator of Peptidoglycan Synthesis LpoA: Implications for PBP1A Stimulation.
Structure, 22, 2014
4KDD
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BU of 4kdd by Molmil
Structure of Mycobacterium tuberculosis ribosome recycling factor in presence of detergent
分子名称: CADMIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Ribosome-recycling factor
著者Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M.
登録日2013-04-24
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
11BG
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BU of 11bg by Molmil
A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE
分子名称: PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
著者Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L.
登録日1999-03-11
公開日1999-11-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease.
J.Mol.Biol., 293, 1999
6QXX
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BU of 6qxx by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 14793 patterns merged
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6DVR
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BU of 6dvr by Molmil
Crystal structure of human CARM1 with (R)-SKI-72
分子名称: (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2018-06-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of human CARM1 with (R)-SKI-72
to be published
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
6NZL
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Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans
分子名称: Cytoplasmic zinc-finger protein, ZINC ION
著者Ertekin, A, Massi, F.
登録日2019-02-14
公開日2020-10-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of POS-1, a CCCH-type Tandem Zinc Finger protein from C. elegans
To Be Published
4CFM
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BU of 4cfm by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-18
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4KKT
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BU of 4kkt by Molmil
Crystal Structure of BesA (P21 form)
分子名称: Membrane fusion protein
著者Greene, N.P, Hinchliffe, P, Crow, A, Ababou, A, Hughes, C, Koronakis, V.
登録日2013-05-06
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure of an atypical periplasmic adaptor from a multidrug efflux pump of the spirochete Borrelia burgdorferi.
Febs Lett., 587, 2013
6XB1
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BU of 6xb1 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
3QTD
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BU of 3qtd by Molmil
Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1
分子名称: GLYCEROL, PmbA protein
著者Tkaczuk, K.L, Chruszcz, M, Evdokimova, E, Liu, F, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-22
公開日2011-03-30
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1
To be Published
4KAY
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BU of 4kay by Molmil
Structure of the soluble domain of Lipooligosaccharide phosphoethanolamine transferase A from Neisseria meningitidis - complex with Zn
分子名称: PHOSPHATE ION, YhbX/YhjW/YijP/YjdB family protein, ZINC ION
著者Vrielink, A, Wanty, C, Anandan, A.
登録日2013-04-23
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献The Structure of the Neisserial Lipooligosaccharide Phosphoethanolamine Transferase A (LptA) Required for Resistance to Polymyxin.
J.Mol.Biol., 425, 2013
4KAW
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BU of 4kaw by Molmil
Crystal structure of ribosome recycling factor mutant R39G from Mycobacterium tuberculosis
分子名称: CADMIUM ION, Ribosome-recycling factor
著者Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M.
登録日2013-04-23
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013

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