5WZV
 
 | | Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam | | 分子名称: | 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | | 登録日 | 2017-01-18 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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5X02
 | | Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 | | 分子名称: | N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION | | 著者 | Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K. | | 登録日 | 2017-01-19 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations.
Blood, 131, 2018
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | 分子名称: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | 著者 | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | 登録日 | 2008-05-28 | | 公開日 | 2009-01-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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7W1L
 | | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X | | 分子名称: | Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | 著者 | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | 登録日 | 2021-11-19 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
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6Y5M
 | | Crystal structure of mouse Autotaxin in complex with compound 1a | | 分子名称: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2020-02-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | | 主引用文献 | Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
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7WOS
 | | The state 3 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
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5SDZ
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)N(C[C@@H](CO)O)C)C)NC(c2c(ccc(n2)C3CC3)Nc4cncnc4)=O, micromolar IC50=0.01933 | | 分子名称: | 6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | | 登録日 | 2022-01-21 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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6PP9
 | | Crystal structure of BRAF:MEK1 complex | | 分子名称: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. | | 登録日 | 2019-07-05 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
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7WOU
 | | The state 4 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
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5BRN
 | | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | | 分子名称: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | 登録日 | 2015-05-31 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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4IDD
 | | Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and EHMF | | 分子名称: | (2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Schiefner, A, Skerra, A. | | 登録日 | 2012-12-12 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
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7WOR
 | | The state 2 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
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8HLB
 | | Cryo-EM structure of biparatopic antibody Bp109-92 in complex with TNFR2 | | 分子名称: | TR109 heavy chain, TR109 light chain, TR92 heavy chain, ... | | 著者 | Akiba, H, Fujita, J, Ise, T, Nishiyama, K, Miyata, T, Kato, T, Namba, K, Ohno, H, Kamada, H, Nagata, S, Tsumoto, K. | | 登録日 | 2022-11-29 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Development of a 1:1-binding biparatopic anti-TNFR2 antagonist by reducing signaling activity through epitope selection.
Commun Biol, 6, 2023
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8CBD
 | | SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2023-01-25 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.52 Å) | | 主引用文献 | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
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5BST
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7WOV
 | | The state 5 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Sun, L, Chen, Z.G. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
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7WOW
 | | The state 6 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, GW01 Fv, Spike glycoprotein | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (6.11 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
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8U01
 | | Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Kim, Y, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2023-08-28 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain
Containing Protein from Phocaeicola plebeius
To Be Published
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8HQ6
 | | KL2 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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6DEM
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7AGB
 | | Protease Sapp1p from Candida parapsilosis in complex with KB70 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ... | | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | | 登録日 | 2020-09-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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8HQ3
 | | KL1 in complex with CRM1-Ran-RanBP1 | | 分子名称: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | 著者 | Sun, Q, Jian, L. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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3DKF
 | | Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523 | | 分子名称: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | | 著者 | Hendle, J. | | 登録日 | 2008-06-24 | | 公開日 | 2009-07-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
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9JVX
 | | Overall structure of human EAAT2 bound with activator (GT949) | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 3-[(~{R})-(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methoxy-1~{H}-quinolin-2-one, CHOLESTEROL, ... | | 著者 | Xia, L.Y, Zhang, Y.Y, Shi, Y, Huang, J, Zhou, Q. | | 登録日 | 2024-10-09 | | 公開日 | 2025-04-09 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | Structural study of human glutamate transporter EAAT2
Dian Zi Xian Wei Xue Bao, 2025
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