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PDB: 88675 件

6V8K
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Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
分子名称: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
著者Gardberg, A.S.
登録日2019-12-11
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
7B2I
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BU of 7b2i by Molmil
Heterodimeric tRNA-Guanine Transglycosylase from mouse
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
著者Sebastiani, M, Heine, A, Reuter, K.
登録日2020-11-27
公開日2021-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
8H7E
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Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution
分子名称: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PDM
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Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
分子名称: Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
著者Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
6P8C
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2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
分子名称: 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase, CHLORIDE ION, GLYCEROL, ...
著者Carbone, V, Schofield, L.R, Hannus, I, Sutherland-Smith, A.J, Ronimus, R.S.
登録日2019-06-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus
To Be Published
5MTP
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BU of 5mtp by Molmil
Crystal structure of M. tuberculosis InhA inhibited by PT514
分子名称: 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C.
登録日2017-01-10
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
8H7C
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Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative
分子名称: ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ...
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
7T7K
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BU of 7t7k by Molmil
Structure of SPAC806.04c protein from fission yeast bound to Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
8H7D
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BU of 8h7d by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T)
分子名称: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
著者Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
登録日2022-10-19
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JZB
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BU of 5jzb by Molmil
Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide
分子名称: 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION
著者Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
登録日2016-05-16
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
6P90
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BU of 6p90 by Molmil
Crystal structure of PaDHDPS2-H56Q mutant
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL
著者Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P.
登録日2019-06-08
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation.
Febs J., 287, 2020
6VEI
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BU of 6vei by Molmil
Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.751 Å)
主引用文献Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6SCZ
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BU of 6scz by Molmil
Mycobacterium tuberculosis alanine racemase inhibited by DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S.
登録日2019-07-26
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition.
Nat.Chem.Biol., 16, 2020
6VFX
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BU of 6vfx by Molmil
ClpXP from Neisseria meningitidis - Conformation B
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E.
登録日2020-01-06
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery.
Elife, 9, 2020
5MWU
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BU of 5mwu by Molmil
Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl
分子名称: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
著者Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S.
登録日2017-01-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme
To Be Published
8HQC
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BU of 8hqc by Molmil
Structure of a GPCR-G protein in complex with a natural peptide agonist
分子名称: Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
著者Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
登録日2022-12-13
公開日2023-10-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
6N93
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Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
分子名称: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
著者Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
登録日2018-11-30
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
分子名称: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
著者Escobar, C.A, Petersen, R, Butcher, S.E.
登録日2023-08-02
公開日2023-11-15
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
7AWV
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BU of 7awv by Molmil
Azoreductase (AzoRo) from Rhodococcus opacus 1CP
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ...
著者Bento, I, Ngo, A, Qi, J, Juric, C, Tischler, D.
登録日2020-11-09
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of molecular basis that underlie enzymatic specificity of AzoRo from Rhodococcus opacus 1CP: A potential NADH:quinone oxidoreductase.
Arch.Biochem.Biophys., 717, 2022
8CGW
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BU of 8cgw by Molmil
Insulin-regulated aminopeptidase (IRAP) in complex with an allosteric benzopyran-based inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mpakali, A, Stratikos, E, Giastas, P.
登録日2023-02-06
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
J.Mol.Biol., 436, 2024
5MPW
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BU of 5mpw by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF1
分子名称: BROMIDE ION, Multiple organellar RNA editing factor 1, mitochondrial, ...
著者Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
登録日2016-12-19
公開日2017-02-22
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017
4Y7M
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BU of 4y7m by Molmil
T6SS protein TssM C-terminal domain (835-1129) from EAEC
分子名称: Hi113 protein, SULFATE ION, Type VI secretion protein IcmF
著者Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
登録日2015-02-15
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
7TA6
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BU of 7ta6 by Molmil
Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1
分子名称: 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ...
著者Niu, J, Bingman, C.A, Gellman, S.H.
登録日2021-12-20
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
6MR4
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BU of 6mr4 by Molmil
Crystal structure of the Sth1 bromodomain from S.cerevisiae
分子名称: Nuclear protein STH1/NPS1
著者Seo, H.S, Hashimoto, H, Krolak, A, Debler, E.W, Blus, B.J.
登録日2018-10-11
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Substrate Affinity and Specificity of the ScSth1p Bromodomain Are Fine-Tuned for Versatile Histone Recognition.
Structure, 27, 2019

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