8HE1
 
 | | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | | 分子名称: | BENZHYDROXAMIC ACID, Chitin deacetylase, ZINC ION | | 著者 | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | | 登録日 | 2022-11-07 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
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8HFA
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8HF9
 | | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | | 分子名称: | Chitin deacetylase, ZINC ION | | 著者 | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | | 登録日 | 2022-11-10 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
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8GYM
 | | Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | 著者 | Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L. | | 登録日 | 2022-09-23 | | 公開日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
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8GZU
 | | Cryo-EM structure of Tetrahymena thermophila respiratory Megacomplex MC (IV2+I+III2+II)2 | | 分子名称: | 2 iron, 2 sulfur cluster-binding protein, 2-oxoglutarate/malate carrier protein, ... | | 著者 | Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L. | | 登録日 | 2022-09-27 | | 公開日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | | 主引用文献 | Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
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8HBM
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8HIV
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8HBW
 | | Structure of human UCP1 in the ATP-bound state | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, ... | | 著者 | Chen, L, Kang, Y. | | 登録日 | 2022-10-31 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | | 主引用文献 | Structural basis for the binding of DNP and purine nucleotides onto UCP1.
Nature, 620, 2023
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8HP6
 | | Crystal structure of (S)-2-haloacid dehalogenase D12A mutant | | 分子名称: | (S)-2-haloacid dehalogenase, SODIUM ION | | 著者 | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | 登録日 | 2022-12-12 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
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8HP5
 | | Crystal structure of (S)-2-haloacid dehalogenase | | 分子名称: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL | | 著者 | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | 登録日 | 2022-12-12 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
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8HBV
 | | Structure of human UCP1 in the nucleotide-free state | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, Mitochondrial brown fat uncoupling protein 1, ... | | 著者 | Chen, L, Kang, Y. | | 登録日 | 2022-10-31 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Structural basis for the binding of DNP and purine nucleotides onto UCP1.
Nature, 620, 2023
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8HP7
 | | Crystal structure of (S)-2-haloacid dehalogenase K152A mutant trapped with (2R)-4-amino-2-hydroxybutanoic acid | | 分子名称: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, GAMMA-AMINO-BUTANOIC ACID | | 著者 | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | 登録日 | 2022-12-12 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
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8HF8
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | | 分子名称: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | | 著者 | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | 登録日 | 2022-11-09 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
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8HTB
 | | Staphylococcus aureus FtsZ 12-316 complexed with TXH9179 | | 分子名称: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | | 著者 | Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S. | | 登録日 | 2022-12-21 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Acs Chem.Biol., 18, 2023
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | 分子名称: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | 著者 | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | 登録日 | 2020-03-11 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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8FNZ
 | | Acetylated tau repeat 1 and 2 fragment (AcR1R2) | | 分子名称: | Microtubule-associated protein tau, acetylated repeat 1 and 2 fragment | | 著者 | Li, L, Nguyen, A.B, Mullapudi, V, Joachimiak, L. | | 登録日 | 2022-12-29 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.88 Å) | | 主引用文献 | Disease-associated patterns of acetylation stabilize tau fibril formation.
Structure, 31, 2023
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8FG2
 | | SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients | | 分子名称: | Nucleoprotein | | 著者 | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | | 登録日 | 2022-12-12 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (6 Å) | | 主引用文献 | Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
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1JVU
 | | CRYSTAL STRUCTURE OF RIBONUCLEASE A (COMPLEXED FORM) | | 分子名称: | CYTIDINE-2'-MONOPHOSPHATE, RIBONUCLEASE A | | 著者 | Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L. | | 登録日 | 2001-08-31 | | 公開日 | 2002-06-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Reversible Substrate-Induced Domain Motions in Ribonuclease A
Proteins, 46, 2002
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | 分子名称: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-14 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6M71
 | | SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | | 著者 | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | 登録日 | 2020-03-16 | | 公開日 | 2020-04-01 | | 最終更新日 | 2021-03-10 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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4Y52
 | | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | | 分子名称: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | 著者 | Wang, L, Chong, J, Wang, D. | | 登録日 | 2015-02-11 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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6YVF
 | | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | | 分子名称: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-04-28 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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3ZNN
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | 分子名称: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | 登録日 | 2013-02-15 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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3CE0
 | | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34 | | 分子名称: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3 | | 著者 | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | | 登録日 | 2008-02-27 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
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3ZNP
 | | IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | | 分子名称: | 3-HYDROXY-2H-CHROMEN-2-ONE, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Hopkins, S.C, Heffernan, M.L.R, Saraswat, L.D, Bowen, C.A, Melnick, L, Hardy, L.W, Orsini, M.A, Allen, M.S, Koch, P, Spear, K.L, Foglesong, R.J, Soukri, M, Chytil, M, Fang, Q.K, Jones, S.W, Varney, M.A, Panatier, A, Oliet, S.H.R, Pollegioni, L, Piubelli, L, Molla, G, Nardini, M, Large, T.H. | | 登録日 | 2013-02-15 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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