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8J5W
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The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28041458 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J61
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The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05065274 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
6K2Z
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BU of 6k2z by Molmil
Human Galectin-14 with lactose
分子名称: Placental protein 13-like, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-05-15
公開日2020-06-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
6K2Y
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Human Galectin-14
分子名称: Placental protein 13-like
著者Su, J.
登録日2019-05-15
公開日2020-06-17
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
5Z8O
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BU of 5z8o by Molmil
Structural of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis
分子名称: Cyclase/dehydrase
著者Zheng, S, Liu, W, Bi, L.
登録日2018-01-31
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and genetic analysis of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis.
FEBS Lett., 592, 2018
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
6JKJ
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Crystal structure of human SPSB2 in the apo-state
分子名称: SPRY domain-containing SOCS box protein 2
著者Luo, Y, Kuang, Z.
登録日2019-03-01
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the SPRY domain of human SPSB2 in the apo state.
Acta Crystallogr.,Sect.F, 75, 2019
5DOI
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BU of 5doi by Molmil
Crystal structure of Tetrahymena p45N and p19
分子名称: Telomerase associated protein p45, Telomerase-associated protein 19
著者Wan, B, Tang, T, Wu, J, Lei, M.
登録日2015-09-11
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
5DOF
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BU of 5dof by Molmil
Crystal structure of Tetrahymena p19
分子名称: Telomerase-associated protein 19
著者Wan, B, Tang, T, Wu, J, Lei, M.
登録日2015-09-11
公開日2015-11-25
最終更新日2015-12-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex.
Nat.Struct.Mol.Biol., 22, 2015
5DOK
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BU of 5dok by Molmil
Crystal structure of Tetrahymena p45C
分子名称: MAGNESIUM ION, Telomerase associated protein p45
著者Wan, B, Tang, T, Wu, J, Lei, M.
登録日2015-09-11
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
5E95
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BU of 5e95 by Molmil
Crystal Structure of Mb(NS1)/H-Ras Complex
分子名称: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S.
登録日2015-10-14
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2014-09-04
公開日2015-03-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.239 Å)
主引用文献The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9A
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BU of 4r9a by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG4000)
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2014-09-04
公開日2015-03-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.197 Å)
主引用文献The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
5BXI
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BU of 5bxi by Molmil
1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site
分子名称: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, Nucleoside diphosphate kinase
著者Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-06-09
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2014-09-04
公開日2015-03-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
7E9G
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BU of 7e9g by Molmil
Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ...
著者Lin, S, Han, S, Zhao, Q, Wu, B.
登録日2021-03-04
公開日2021-06-23
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
7E9H
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BU of 7e9h by Molmil
Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-3, ...
著者Lin, S, Han, S, Zhao, Q, Wu, B.
登録日2021-03-04
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
4R9B
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BU of 4r9b by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y.
登録日2014-09-04
公開日2015-03-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
6JK6
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BU of 6jk6 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2
分子名称: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitotriosidase-1
著者Jiang, X, Yang, Q.
登録日2019-02-27
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JKF
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Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2
分子名称: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
著者Yang, Q, Jiang, X.
登録日2019-02-28
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JMN
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Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
著者Jiang, X, Yang, Q.
登録日2019-03-12
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JJR
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Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14
分子名称: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
著者Jiang, X, Yang, Q.
登録日2019-02-26
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.834 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JQH
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Crystal structure of MaDA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
著者Du, X.X, Lei, X.G.
登録日2019-03-31
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020

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