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PDB: 46298 件

7O8N
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NmHR light state structure at 7.5 ms (5 - 10 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8S
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NmHR light state structure at 32.5 ms (30 - 35 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8J
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BU of 7o8j by Molmil
NmHR light state structure at 20 us after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8L
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BU of 7o8l by Molmil
NmHR dark state structure determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8R
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NmHR light state structure at 27.5 ms (25 - 30 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8V
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NmHR light state structure at 55 ms (50 - 60 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
8OLX
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MutSbeta bound to (CAG)2 DNA (canonical form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-30
公開日2023-05-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
7O8G
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NmHR light state structure at 10 ps after photoexcitation determined by serial femtosecond crystallography (with extrapolated, dark and light dataset)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8O
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BU of 7o8o by Molmil
NmHR light state structure at 12.5 ms (10 - 15 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
7O8U
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BU of 7o8u by Molmil
NmHR light state structure at 45 ms (40 - 50 ms) after photoexcitation determined by serial millisecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ...
著者Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P.
登録日2021-04-15
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dynamics and mechanism of a light-driven chloride pump.
Science, 375, 2022
6MF0
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BU of 6mf0 by Molmil
Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Smith, I.W, Spiegel, P.C.
登録日2018-09-07
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.19999886 Å)
主引用文献The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain.
J.Thromb.Haemost., 18, 2020
8CS2
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BU of 8cs2 by Molmil
[(1AP)G/TC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*(1AP)P*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
3MQ6
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BU of 3mq6 by Molmil
Domain swapped SgrAI with DNA and calcium bound
分子名称: CALCIUM ION, DNA (5'-D(*AP*AP*GP*TP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*AP*CP*T)-3'), SgraIR restriction enzyme
著者Dunten, P.W, Horton, N.C, Little, E.J.
登録日2010-04-27
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Domain swapping in allosteric modulation of DNA specificity.
Plos Biol., 8, 2010
6OCQ
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BU of 6ocq by Molmil
Crystal structure of RIP1 kinase in complex with a pyrrolidine
分子名称: 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION
著者Thorpe, J.H, Harris, P.A.
登録日2019-03-25
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
8AYE
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BU of 8aye by Molmil
E. coli 70S ribosome bound to thermorubin and fMet-tRNA
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Sanyal, S, Parajuli, N.P, Emmerich, A.G.
登録日2022-09-02
公開日2023-03-01
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria.
Nat Commun, 14, 2023
7A49
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BU of 7a49 by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine
分子名称: 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, SULFATE ION
著者Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
登録日2020-08-19
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
6REQ
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BU of 6req by Molmil
METHYLMALONYL-COA MUTASE, 3-CARBOXYPROPYL-COA INHIBITOR COMPLEX
分子名称: 3-CARBOXYPROPYL-COENZYME A, COBALAMIN, GLYCEROL, ...
著者Evans, P.R, Mancia, F.
登録日1998-09-03
公開日1999-09-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of substrate complexes of methylmalonyl-CoA mutase.
Biochemistry, 38, 1999
7XU8
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BU of 7xu8 by Molmil
Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CARBONATE ION, ...
著者Maurya, A, Ahmad, N, Viswanathan, V, Singh, P.K, Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2022-05-18
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ligand recognition by peptidoglycan recognition protein-S (PGRP-S): structure of the complex of camel PGRP-S with heptanoic acid at 2.15 angstrom resolution.
Int J Biochem Mol Biol, 13, 2022
7A76
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BU of 7a76 by Molmil
Bacillithiol Disulfide Reductase Bdr (YpdA) from Bacillus cereus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, THIOREDOXIN REDUCTASE
著者Hammerstad, M, Gudim, I, Hersleth, H.-P.
登録日2020-08-27
公開日2020-12-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
6R9W
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BU of 6r9w by Molmil
Crystal structure of InhA in complex with AP-124 inhibitor
分子名称: (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Takebayashi, Y, Hinchliffe, P, Spencer, J.
登録日2019-04-04
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
8JIW
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BU of 8jiw by Molmil
Atomic structure of wheat ribosome reveals unique features of the plant ribosomes
分子名称: 18S rRNA, 30S ribosomal protein S4, chloroplastic, ...
著者Mishra, R.K, Sharma, P, Hussain, T.
登録日2023-05-28
公開日2024-03-27
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structure of wheat ribosome reveals unique features of the plant ribosomes.
Structure, 32, 2024
8E0U
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DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Sulfate in unbound:(bound)2:other conformations
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, SULFATE ION
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
6URQ
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BU of 6urq by Molmil
Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen family member 4 (PAGE4)
分子名称: GLYCEROL, P antigen family member 4, Poly [ADP-ribose] polymerase tankyrase-1, ...
著者Zheng, Y, Koirala, S, Miller, D, Potts, P.R.
登録日2019-10-24
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tissue-Specific Regulation of the Wnt/ beta-Catenin Pathway by PAGE4 Inhibition of Tankyrase.
Cell Rep, 32, 2020
8DT3
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Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ...
著者Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J.
登録日2022-07-25
公開日2022-08-03
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022

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