8HE1
 
 | | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | | Descriptor: | BENZHYDROXAMIC ACID, Chitin deacetylase, ZINC ION | | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | | Deposit date: | 2022-11-07 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 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 | | Descriptor: | Chitin deacetylase, ZINC ION | | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | | Deposit date: | 2022-11-10 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 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 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | Authors: | Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L. | | Deposit date: | 2022-09-23 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | 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 | | Descriptor: | 2 iron, 2 sulfur cluster-binding protein, 2-oxoglutarate/malate carrier protein, ... | | Authors: | Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L. | | Deposit date: | 2022-09-27 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | 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
 | | The structure of apo-SoBcmB with Fe(II) and AKG | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Fe/2OG dependent dioxygenase | | Authors: | Wu, L, Zhou, J.H. | | Deposit date: | 2022-11-22 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2000308 Å) | | Cite: | The structure of apo-SoBcmB with Fe(II) and AKG
To Be Published
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8HBW
 | | Structure of human UCP1 in the ATP-bound state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, ... | | Authors: | Chen, L, Kang, Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | 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 | | Descriptor: | (S)-2-haloacid dehalogenase, SODIUM ION | | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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 | | Descriptor: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL | | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, Mitochondrial brown fat uncoupling protein 1, ... | | Authors: | Chen, L, Kang, Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | 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 | | Descriptor: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, GAMMA-AMINO-BUTANOIC ACID | | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2022-11-09 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | 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 | | Descriptor: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | | Authors: | Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S. | | Deposit date: | 2022-12-21 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | 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) | | Descriptor: | Microtubule-associated protein tau, acetylated repeat 1 and 2 fragment | | Authors: | Li, L, Nguyen, A.B, Mullapudi, V, Joachimiak, L. | | Deposit date: | 2022-12-29 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | 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 | | Descriptor: | Nucleoprotein | | Authors: | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | | Deposit date: | 2022-12-12 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | 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) | | Descriptor: | CYTIDINE-2'-MONOPHOSPHATE, RIBONUCLEASE A | | Authors: | Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L. | | Deposit date: | 2001-08-31 | | Release date: | 2002-06-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 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. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | 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. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-01 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | 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. | | Descriptor: | 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, ... | | Authors: | Wang, L, Chong, J, Wang, D. | | Deposit date: | 2015-02-11 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | 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. | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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 | | Descriptor: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | 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. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | 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) | | Deposit date: | 2008-02-27 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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 | | Descriptor: | 3-HYDROXY-2H-CHROMEN-2-ONE, D-AMINO-ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | 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. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural, Kinetic, and Pharmacodynamic Mechanisms of D-Amino Acid Oxidase Inhibition by Small Molecules.
J.Med.Chem., 56, 2013
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