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PDB: 40736 件

8BSK
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Human GLS in complex with compound 3
分子名称: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
3TDZ
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N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex: Structure of a human Cul1WHB-Dcn1P-stapled acetylated Ubc12N complex
分子名称: Cullin-1, DCN1-like protein 1, STAPLED PEPTIDE
著者Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A.
登録日2011-08-11
公開日2011-10-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex.
Science, 334, 2011
8BSL
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Human GLS in complex with compound 12
分子名称: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
5W56
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Structure of Apo AztC
分子名称: GLYCEROL, Periplasmic solute binding protein, SODIUM ION
著者Avalos, D, Yukl, E.T.
登録日2017-06-14
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
5W63
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Crystal structure of channel catfish BAX
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
8BSN
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Human GLS in complex with compound 27
分子名称: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
2EEK
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BU of 2eek by Molmil
Crystal structure of Atlantic cod trypsin complexed with benzamidine
分子名称: BENZAMIDINE, CALCIUM ION, SODIUM ION, ...
著者Iyaguchi, D, Toyota, E.
登録日2007-02-15
公開日2008-02-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Atlantic cod trypsin complexed with benzamidine
To be Published
6DPV
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BU of 6dpv by Molmil
Undecorated GDP microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, R, Nogales, E.
登録日2018-06-09
公開日2018-07-04
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Separating the effects of nucleotide and EB binding on microtubule structure.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3TH7
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BU of 3th7 by Molmil
Crystal structure of unliganded Co2+2-HAI (pH 7.0)
分子名称: Arginase-1, COBALT (II) ION
著者D'Antonio, E.L, Christianson, D.W.
登録日2011-08-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of complexes with cobalt-reconstituted human arginase I.
Biochemistry, 50, 2011
8BSH
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BU of 8bsh by Molmil
COPII inner coat
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein transport protein SEC23, ...
著者Zanetti, G, Pyle, E.W.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.
Elife, 11, 2022
8B58
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BU of 8b58 by Molmil
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A
分子名称: Cyclosporin A, Peptidyl-prolyl cis-trans isomerase
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-09-22
公開日2023-02-01
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis for Cyclosporin Isoform-Specific Inhibition of Cyclophilins from Toxoplasma gondii .
Acs Infect Dis., 9, 2023
5W7H
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BU of 5w7h by Molmil
Supercharged arPTE variant R5
分子名称: Phosphotriesterase, ZINC ION
著者Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J.
登録日2017-06-19
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
5WCW
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BU of 5wcw by Molmil
Phosphotriesterase variant S3
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-07-02
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Phosphotriesterase variant S4
To Be Published
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
著者Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2013-10-23
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
5WH8
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BU of 5wh8 by Molmil
Cellulase Cel5C_n
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PENTAETHYLENE GLYCOL, ...
著者Koropatkin, N.M, Pope, P.B, Naas, A.E.
登録日2017-07-15
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献"Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system.
Microbiome, 6, 2018
4NWN
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28
分子名称: Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein
著者McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
登録日2013-12-06
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4NEW
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BU of 4new by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
分子名称: 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ...
著者Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F.
登録日2013-10-30
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
5WIA
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BU of 5wia by Molmil
Crystal structure of the segment, GNNSYS, from the low complexity domain of TDP-43, residues 370-375
分子名称: TAR DNA-binding protein 43
著者Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S.
登録日2017-07-18
公開日2018-04-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.002 Å)
主引用文献Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
5WEK
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BU of 5wek by Molmil
GluA2 bound to antagonist ZK and GSG1L in digitonin, state 1
分子名称: Chimera of Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2017-07-10
公開日2017-08-02
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
6DZV
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BU of 6dzv by Molmil
Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation
分子名称: (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ...
著者Coleman, J.A, Yang, D, Gouaux, E.
登録日2018-07-05
公開日2019-04-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6E1O
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afTMEM16 reconstituted in nanodiscs in the presence of Ca2+ and ceramide 24:0
分子名称: CALCIUM ION, DECANE, DODECANE, ...
著者Falzone, M.E, Accardi, A.
登録日2018-07-10
公開日2019-02-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Elife, 8, 2019
3THS
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BU of 3ths by Molmil
Crystal structure of rat native liver Glycine N-methyltransferase complexed with 5-methyltetrahydrofolate pentaglutamate
分子名称: 5-methyltetrahydrofolate pentaglutamate, BETA-MERCAPTOETHANOL, Glycine N-methyltransferase, ...
著者Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C.
登録日2011-08-19
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Differences in folate-protein interactions result in differing inhibition of native rat liver and recombinant glycine N-methyltransferase by 5-methyltetrahydrofolate.
Biochim.Biophys.Acta, 1824, 2011
8BIG
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BU of 8big by Molmil
O-Methyltransferase Plu4895 in complex with SAH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2022-11-02
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
2EH8
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BU of 2eh8 by Molmil
Crystal structure of the complex of humanized KR127 fab and PRES1 peptide epitope
分子名称: HUMANIZED KR127 FAB, HEAVY CHAIN, LIGHT CHAIN, ...
著者Chi, S.-W, Kim, S.-J, Maeng, C.-Y, Hong, H.J, Ryu, S.-E.
登録日2007-03-05
公開日2008-01-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Broadly neutralizing anti-hepatitis B virus antibody reveals a complementarity determining region H3 lid-opening mechanism
Proc.Natl.Acad.Sci.Usa, 104, 2007
6E0H
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PDB: afTMEM16 reconstituted in nanodiscs in the presence of Ca2+
分子名称: CALCIUM ION, Plasma membrane channel protein (Aqy1), putative
著者Falzone, M.E, Accardi, A.
登録日2018-07-06
公開日2019-02-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Elife, 8, 2019

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