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PDB: 88675 件

6MX0
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Crystal structure of human STING apoprotein (G230A, H232R, R293Q)
分子名称: CALCIUM ION, Stimulator of interferon genes protein
著者Lesburg, C.A, Siu, T, Ho, T.
登録日2018-10-30
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
7ALN
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Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ...
著者Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D.
登録日2020-10-06
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity.
Nat Commun, 12, 2021
6N29
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Crystal structure of monomeric von Willebrand Factor D`D3 assembly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Dong, X, Arndt, J.W, Springer, T.A.
登録日2018-11-12
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The von Willebrand factor D'D3 assembly and structural principles for factor VIII binding and concatemer biogenesis.
Blood, 133, 2019
6V82
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Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX
分子名称: SULFATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-10
公開日2020-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Catalytically impaired TrpA subunit of tryptophan synthase from Chlamydia trachomatis is an allosteric regulator of TrpB.
Protein Sci., 30, 2021
5MB9
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Crystal structure of the eukaryotic ribosome associated complex (RAC), a unique Hsp70/Hsp40 pair
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Gumiero, A, Weyer, F.A, Valentin Gese, G, Lapouge, K, Sinning, I.
登録日2016-11-07
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into a unique Hsp70-Hsp40 interaction in the eukaryotic ribosome-associated complex.
Nat. Struct. Mol. Biol., 24, 2017
5JZ7
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NGF IN COMPLEX WITH MEDI578 scFv
分子名称: Beta-nerve growth factor, MEDI578 scFv, heavy chain, ...
著者Olsson, L.-L, Aagaard, A.
登録日2016-05-16
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo.
Sci Rep, 6, 2016
6V90
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Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
分子名称: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者Gardberg, A.S.
登録日2019-12-12
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
7AM2
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Intermediate assembly of the Large subunit from Leishmania major mitochondrial ribosome
分子名称: 50S ribosomal protein L13-like protein, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
著者Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y.
登録日2020-10-07
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Y4U
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Crystal structure of p38 in complex with SR65
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
7AYJ
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Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor.
分子名称: 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
著者Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J.
登録日2020-11-12
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates.
Acs Infect Dis., 7, 2021
7PFZ
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
分子名称: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-12
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6Y5F
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Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, PHOSPHATE ION, ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-25
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
6P0C
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Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Tumbale, P.S, Riccio, A.A, Williams, R.S.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
5MNC
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Cationic trypsin in complex with aniline (deuterated sample at 100 K)
分子名称: ANILINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.916 Å)
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
6Y5V
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Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L.
登録日2020-02-25
公開日2020-07-15
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
7AUO
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AUM
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase DDP1
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
6ET4
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HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ...
著者Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S.
登録日2017-10-25
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
8C8U
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Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin
分子名称: Isoleucine--tRNA ligase, L(+)-TARTARIC ACID, MUPIROCIN, ...
著者Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Gruic-Sovulj, I, Ban, N.
登録日2023-01-21
公開日2023-08-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
6S4A
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Structure of human MTHFD2 in complex with TH9028
分子名称: (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6P4Q
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Salmonella typhi PltB Homopentamer N29K Mutant with Neu5Ac-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit
著者Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J.
登録日2019-05-28
公開日2020-03-25
最終更新日2020-08-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
7AUK
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AUI
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with InsP6
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1, INOSITOL HEXAKISPHOSPHATE
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
6N82
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Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Farnesyl pyrophosphate synthase, ...
著者Park, J, Schilling, M.A, Berghuis, A.M.
登録日2018-11-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
8C8W
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Priestia megaterium mupirocin hyper-resistant HIGH motif mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue
分子名称: D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ...
著者Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
登録日2023-01-21
公開日2023-08-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023

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