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4LNK
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B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-glutamate-AMPPCP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Glutamine synthetase, ...
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
2L15
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Solution Structure of Cold Shock Protein CspA Using Combined NMR and CS-Rosetta method
分子名称: Cold shock protein CspA
著者Tang, Y, Schneider, W.M, Shen, Y, Raman, S, Inouye, M, Baker, D, Roth, M.J, Montelione, G.T.
登録日2010-07-22
公開日2010-09-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Fully automated high-quality NMR structure determination of small (2)H-enriched proteins.
J Struct Funct Genomics, 11, 2010
4LL5
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Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002
分子名称: 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ...
著者Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
登録日2013-07-09
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
4CFX
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BU of 4cfx 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]benzenesulfonamide, 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 (3.5 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
4LNN
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B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS
分子名称: Glutamine synthetase, MAGNESIUM ION, SULFATE ION
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNI
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BU of 4lni by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
著者Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
登録日2013-07-11
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5793 Å)
主引用文献Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4W6Z
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BU of 4w6z by Molmil
YEAST ALCOHOL DEHYDROGENASE I, SACCHAROMYCES CEREVISIAE FERMENTATIVE ENZYME
分子名称: Alcohol dehydrogenase 1, NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者plapp, B.v, savarimuthu, b.r, ramaswamy, s.
登録日2014-08-21
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Yeast alcohol dehydrogenase structure and catalysis.
Biochemistry, 53, 2014
4X34
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Crystal structure of the 53BP1 tandem tudor domain in complex with p53K381acK382me2
分子名称: THR-SER-ARG-HIS-ALY-MLY-LEU-MET-PHE-LYS, Tumor suppressor p53-binding protein 1
著者Tong, Q, Kutateladze, T.G.
登録日2014-11-27
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献An Acetyl-Methyl Switch Drives a Conformational Change in p53.
Structure, 23, 2015
5OM7
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Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a drug-binding serpin for doxorubicin
分子名称: Alpha-1-antichymotrypsin, DOXORUBICIN
著者Schmidt, K, Kern, A, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.727 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4WMX
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The structure of MBP-MCL1 bound to ligand 6 at 2.0A
分子名称: 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
8AVO
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BU of 8avo by Molmil
Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (open 3:3 model).
分子名称: Leptin, Leptin receptor
著者Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
登録日2022-08-26
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (6.84 Å)
主引用文献Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
8AVF
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Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (closed 3:3 model)
分子名称: Leptin, Leptin receptor
著者Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
登録日2022-08-26
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (6.45 Å)
主引用文献Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
4WMV
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BU of 4wmv by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A
分子名称: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Clifton, M.C, Moulin, A.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
8AVE
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BU of 8ave by Molmil
Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (2:2 model)
分子名称: Leptin, Leptin receptor
著者Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
登録日2022-08-26
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (5.62 Å)
主引用文献Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
5OM3
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Crystal structure of Alpha1-antichymotrypsin variant DBS-I5: a MMP14-cleavable drug-binding serpin for doxycycline
分子名称: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, Alpha-1-antichymotrypsin, DI(HYDROXYETHYL)ETHER
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
分子名称: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
著者Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
4WVJ
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Crystal structure of the Type-I signal peptidase from Staphylococcus aureus (SpsB) in complex with an inhibitor peptide (pep3).
分子名称: Maltose-binding periplasmic protein,Signal peptidase IB, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, inhibitor peptide (PEP3)
著者Young, P.G, Ting, Y.T, Baker, E.N.
登録日2014-11-05
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Peptide binding to a bacterial signal peptidase visualized by peptide tethering and carrier-driven crystallization.
IUCrJ, 3, 2016
4US7
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Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis
分子名称: PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION
著者Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T.
登録日2014-07-03
公開日2015-04-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
4W60
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The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis
分子名称: Late protein H7
著者Kolli, S, Meng, X, Wu, X, Shengjuler, D, Cameron, C.E, Xiang, Y, Deng, J.
登録日2014-08-19
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication.
J.Virol., 89, 2015
4WMT
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STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A
分子名称: 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WWA
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Crystal structure of binary complex Bud32-Cgi121
分子名称: EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION
著者Zhang, W, van Tilbeurgh, H.
登録日2014-11-10
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.953 Å)
主引用文献Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
5TBE
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BU of 5tbe by Molmil
Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2
分子名称: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
著者Buehrmann, M, Rauh, D.
登録日2016-09-12
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
2HLW
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Solution Structure of the Human Ubiquitin-conjugating Enzyme Variant Uev1a
分子名称: Ubiquitin-conjugating enzyme E2 variant 1
著者Hau, D.D, Lewis, M.J, Saltibus, L.F, Pastushok, L, Xiao, W, Spyracopoulos, L.
登録日2006-07-10
公開日2006-09-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure and interactions of the ubiquitin-conjugating enzyme variant human uev1a: implications for enzymatic synthesis of polyubiquitin chains(,).
Biochemistry, 45, 2006
4WMU
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BU of 4wmu by Molmil
STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ...
著者Clifton, M.C, Faiman, J.W.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
4WW7
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Crystal structure of binary complex Bud32-Cgi121 in complex with AMP
分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, EKC/KEOPS complex subunit BUD32, ...
著者Zhang, W, van Tilbeurgh, H.
登録日2014-11-10
公開日2015-03-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.669 Å)
主引用文献Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015

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