8RPJ
 
 | | JanthE from Janthinobacterium sp. HH01 | | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8QWP
 | | Structure of p53 cancer mutant Y236C | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | | 著者 | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-19 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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8QZI
 | | Crystal structure of PptT-ACP from Mycobacterium tuberculosis | | 分子名称: | 4'-phosphopantetheinyl transferase PptT, COENZYME A, ISOPROPYL ALCOHOL, ... | | 著者 | Gavalda, S, Mourey, L, Pedelacq, J.D. | | 登録日 | 2023-10-27 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
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7SFN
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7S83
 | | Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ... | | 著者 | Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G. | | 登録日 | 2021-09-17 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
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8RAK
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7S5S
 | | CTX-M-15 WT in complex with BLIP WT | | 分子名称: | Beta-lactamase, Beta-lactamase inhibitory protein | | 著者 | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | | 登録日 | 2021-09-11 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
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8RGK
 | | Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ... | | 著者 | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | | 登録日 | 2023-12-13 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
J.Biol.Chem., 300, 2024
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2CWV
 | | Product schiff-base intermediate of copper amine oxidase from arthrobacter globiformis | | 分子名称: | COPPER (II) ION, Phenylethylamine oxidase | | 著者 | Chiu, Y.C, Okajima, T, Murakawa, T, Uchida, M, Taki, M, Hirota, S, Kim, M, Yamaguchi, H, Kawano, Y, Kamiya, N, Kuroda, S, Hayashi, H, Yamamoto, Y, Tanizawa, K. | | 登録日 | 2005-06-26 | | 公開日 | 2006-05-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Kinetic and Structural Studies on the Catalytic Role of the Aspartic Acid Residue Conserved in Copper Amine Oxidase(,)
Biochemistry, 45, 2006
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7S3P
 | | BD2 domain of human BRD3 bound to Physachenolide C | | 分子名称: | Bromodomain-containing protein 3, CHLORIDE ION, Physachenolide C | | 著者 | Horton, N.C, Chapman, E, Sivinski, J, Zerio, C, Ghadirian, N. | | 登録日 | 2021-09-07 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
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7RVB
 | | High resolution map of molecular chaperone Artemin | | 分子名称: | Ferritin | | 著者 | Parvate, A.D, Powell, S.M, Brookreason, J.T, Novikova, I.V, Evans, J.E. | | 登録日 | 2021-08-18 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.04 Å) | | 主引用文献 | Cryo-EM structure of the diapause chaperone artemin.
Front Mol Biosci, 9, 2022
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4G8U
 | | Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser off | | 分子名称: | FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... | | 著者 | Sugishima, M, Moffat, K, Noguchi, M. | | 登録日 | 2012-07-23 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
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8RPI
 | | JanthE from Janthinobacterium sp. HH01, lactyl-ThDP | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8QWM
 | | Structure of p53 cancer mutant Y205C | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | | 著者 | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-19 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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8QZH
 | | Crystal structure of apo-PptT from Mycobacterium tuberculosis | | 分子名称: | 4'-phosphopantetheinyl transferase PptT, ACETATE ION, MAGNESIUM ION | | 著者 | Gavalda, S, Carivenc, C, Mourey, L, Pedelacq, J.D. | | 登録日 | 2023-10-27 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
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7ZV2
 | | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | | 著者 | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | 登録日 | 2022-05-13 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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5R0U
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 08, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1B
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 26, DMSO-free | | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | 登録日 | 2020-02-12 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5KJU
 | | Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate | | 分子名称: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase | | 著者 | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | | 登録日 | 2016-06-20 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
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7SCV
 | | Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL17 | | 分子名称: | C-C motif chemokine 17, Evasin P1243 | | 著者 | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2021-09-29 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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7SCT
 | | Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL16 | | 分子名称: | C-C motif chemokine 16, Evasin P1243 | | 著者 | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2021-09-29 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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8RRY
 | | Crystal structure of copper-loaded SmAA10 | | 分子名称: | CBP21, CITRIC ACID, COPPER (II) ION, ... | | 著者 | Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | | 登録日 | 2024-01-24 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.45561326 Å) | | 主引用文献 | Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
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7SH8
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI88 | | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | | 著者 | Yang, K.S, Liu, W.R. | | 登録日 | 2021-10-08 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
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5R50
 | | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13371a | | 分子名称: | DIMETHYL SULFOXIDE, N-[4-(aminomethyl)phenyl]methanesulfonamide, Uridine diphosphate glucose pyrophosphatase NUDT22 | | 著者 | Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. | | 登録日 | 2020-02-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7SH7
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | | 著者 | Blankenship, L.R, Yang, K.S, Liu, W.R. | | 登録日 | 2021-10-08 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
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