5GNK
 
 | | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | | 著者 | Yan, X.E, Yun, C.H. | | 登録日 | 2016-07-21 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
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5GTY
 | | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | | 著者 | Yan, X.E, Yun, C.H. | | 登録日 | 2016-08-23 | | 公開日 | 2017-09-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
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4LN0
 | | Crystal structure of the VGLL4-TEAD4 complex | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ... | | 著者 | Wang, H, Shi, Z, Zhou, Z. | | 登録日 | 2013-07-11 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | | 主引用文献 | A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
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6L35
 | | PSI-LHCI Supercomplex from Physcometrella patens | | 分子名称: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Zhao, L, Yan, Q.J, Qin, X.C. | | 登録日 | 2019-10-09 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens.
Cell Discov, 7, 2021
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | 分子名称: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | 著者 | Xu, Z.H, Zhou, Z. | | 登録日 | 2020-02-26 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | 分子名称: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | 著者 | Xu, Z.H, Zhou, Z. | | 登録日 | 2020-02-26 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | | 主引用文献 | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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5E04
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7BOK
 | | Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis | | 分子名称: | Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BOJ
 | | Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | | 分子名称: | 29 kDa antigen Cfp29 | | 著者 | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5E06
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5E05
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3O71
 | | Crystal structure of ERK2/DCC peptide complex | | 分子名称: | Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION | | 著者 | Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J. | | 登録日 | 2010-07-30 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
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4FFW
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | | 分子名称: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2021-05-19 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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4FFV
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | 分子名称: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | 登録日 | 2012-06-01 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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8GOU
 | | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | | 登録日 | 2022-08-25 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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8D9N
 | | CryoEM structures of bAE1 captured in multiple states. | | 分子名称: | Anion exchange protein | | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | 登録日 | 2022-06-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
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6LNA
 | | YdiU complex with AMPNPP and Mn2+ | | 分子名称: | CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, B, Yang, Y, Ma, Y. | | 登録日 | 2019-12-28 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
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8JF4
 | | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | | 著者 | Zhu, C.J. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.89288354 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8JF3
 | | C-Src in complex with compound 9 | | 分子名称: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Zhang, Z.M, Huang, H.S. | | 登録日 | 2023-05-17 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.84647632 Å) | | 主引用文献 | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8JG8
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4X36
 | | Crystal structure of the autolysin LytA from Streptococcus pneumoniae TIGR4 | | 分子名称: | Autolysin, CHOLINE ION, GLYCEROL, ... | | 著者 | Cheng, W, Li, Q, Zhou, C.Z, Chen, Y.X. | | 登録日 | 2014-11-28 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Full-length structure of the major autolysin LytA.
Acta Crystallogr.,Sect.D, 71, 2015
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5F5M
 | | Crystal structure of Marburg virus nucleoprotein core domain | | 分子名称: | Nucleoprotein | | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | 登録日 | 2015-12-04 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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5F5O
 | | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | | 分子名称: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | 登録日 | 2015-12-04 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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4XV2
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4XV3
 | | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | | 分子名称: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | | 著者 | Zhang, Y, Zhang, C. | | 登録日 | 2015-01-26 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
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