6EH6
 
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8K3P
 | | S. cerevisiae Chs1 in complex with polyoxin B | | 分子名称: | (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | 著者 | Bai, L, Chen, D.D. | | 登録日 | 2023-07-16 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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5JYI
 | | Trypsin bound with succinic acid at 1.9A | | 分子名称: | CALCIUM ION, Cationic trypsin, SODIUM ION, ... | | 著者 | Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K. | | 登録日 | 2016-05-14 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.914 Å) | | 主引用文献 | Trypsin bound with succinic acid at 1.9A
To Be Published
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6VUE
 | | wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol | | 分子名称: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol, Choline trimethylamine-lyase, SODIUM ION | | 著者 | Ortega, M.A, Drennan, C.L. | | 登録日 | 2020-02-15 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
Acs Med.Chem.Lett., 11, 2020
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7TNI
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6YCD
 | | Structure the ananain protease from Ananas comosus covalently bound to the TLCK inhibitor | | 分子名称: | Ananain, GLYCEROL, N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, ... | | 著者 | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | 登録日 | 2020-03-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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8H25
 | | Lacticaseibacillus casei GH35 beta-galactosidase LBCZ_0230 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-galactosidase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Saburi, W, Ota, T, Kato, K, Tagami, T, Yamashita, K, Yao, M, Mori, H. | | 登録日 | 2022-10-04 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | | 主引用文献 | Function and Structure of Lacticaseibacillus casei GH35 beta-Galactosidase LBCZ_0230 with High Hydrolytic Activity to Lacto- N -biose I and Galacto- N -biose.
J Appl Glycosci (1999), 70, 2023
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6Y4L
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6TDQ
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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8ZC3
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2025-07-16 | | 実験手法 | ELECTRON MICROSCOPY (4.69 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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6TDS
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | 登録日 | 2019-11-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TE2
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | | 分子名称: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' | | 著者 | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | 登録日 | 2019-11-11 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (0.922 Å) | | 主引用文献 | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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8ZBY
 | | SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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4QRT
 | | Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Gras, S, Twist, K.-A, Rossjohn, J. | | 登録日 | 2014-07-02 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
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7BRN
 | | Crystal structure of Atg40 AIM fused to Atg8 | | 分子名称: | 1,2-ETHANEDIOL, Autophagy-related protein 40,Autophagy-related protein 8, L-EPINEPHRINE | | 著者 | Yamasaki, A, Noda, N.N. | | 登録日 | 2020-03-29 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.231 Å) | | 主引用文献 | Super-assembly of ER-phagy receptor Atg40 induces local ER remodeling at contacts with forming autophagosomal membranes.
Nat Commun, 11, 2020
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6TFR
 | | Linalool Dehydratase Isomerase C180A mutant | | 分子名称: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI | | 著者 | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | | 登録日 | 2019-11-14 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
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6VUU
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1347 | | 分子名称: | (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2020-02-16 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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5MA9
 | | GFP-binding DARPin fusion gc_R11 | | 分子名称: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | 登録日 | 2016-11-03 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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9FLC
 | | Crystal structure of haspin (GSG2) in complex with MU1668 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine, GLYCEROL, ... | | 著者 | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-06-04 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
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8K5W
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
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6HPO
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9BBD
 | | Structure of S1_8B, a lambda-carrageenan specific sulfatase | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Hettle, J.A, Vickers, C, Boraston, A.B. | | 登録日 | 2024-04-05 | | 公開日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of S1_8C, a lambda-carrageenan specific sulfatase
To Be Published
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5MEM
 | | A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe. | | 分子名称: | 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ... | | 著者 | Mamais, M, Chrysina, E.D. | | 登録日 | 2016-11-15 | | 公開日 | 2017-11-29 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.
Chemistry, 23, 2017
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8K5R
 | | CDK9/cyclin T1 in complex with KB-0742 | | 分子名称: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | | 著者 | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.751 Å) | | 主引用文献 | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
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9FLO
 | | Crystal structure of human Haspin (GSG2) kinase bound to MU2181 | | 分子名称: | NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine | | 著者 | Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-06-05 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-09-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
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