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7DLB
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BU of 7dlb by Molmil
Crassostrea gigas ferritin mutant-D119K
分子名称: FE (III) ION, Ferritin
著者Li, H, Zang, J, Wang, Z, Du, M.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crassostrea gigas ferritin mutant-D119K
To Be Published
6LUK
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BU of 6luk by Molmil
Crystal structure of the SAMD1 SAM domain in another crystal form
分子名称: Atherin, SULFATE ION
著者Cao, Y, Zhou, Y, Wang, Z.
登録日2020-01-29
公開日2021-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
6LIJ
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Crassostrea gigas ferritin
分子名称: Ferritin, MAGNESIUM ION
著者Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crassostrea gigas ferritin
To Be Published
6LUI
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BU of 6lui by Molmil
Crystal structure of the SAMD1 WH domain and DNA complex
分子名称: Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3')
著者Zhou, Y, Cao, Y, Wang, Z.
登録日2020-01-29
公開日2021-02-03
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
6LUJ
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Crystal structure of the SAMD1 SAM domain
分子名称: Atherin, SULFATE ION
著者Cao, Y, Zhou, Y, Wang, Z.
登録日2020-01-29
公開日2021-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
6MU2
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Structure of full-length IP3R1 channel in the Apo-state
分子名称: Inositol 1,4,5-trisphosphate receptor type 1
著者Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L.
登録日2018-10-22
公開日2018-12-05
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating.
Cell Res., 28, 2018
7XN6
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BU of 7xn6 by Molmil
Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization
分子名称: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN4
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Cryo-EM structure of CopC-CaM-caspase-3 with NAD+
分子名称: Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
7XN5
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Cryo-EM structure of CopC-CaM-caspase-3 with ADPR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ...
著者Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S.
登録日2022-04-28
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
5O66
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BU of 5o66 by Molmil
Asymmetric AcrABZ-TolC
分子名称: Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, ...
著者Du, D, Luisi, B.F.
登録日2017-06-05
公開日2017-06-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献An allosteric transport mechanism for the AcrAB-TolC multidrug efflux pump.
Elife, 6, 2017
4GEV
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BU of 4gev by Molmil
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
著者Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
登録日2012-08-02
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
7SYY
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BU of 7syy by Molmil
Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3
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, Antibody hAH1.3 Heavy Chain, ...
著者Xu, K, Xu, Y.
登録日2021-11-25
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SYZ
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Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, Antibody hAH1.3 light chain, ...
著者Xu, K, Xu, Y.
登録日2021-11-25
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
6IR2
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BU of 6ir2 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution
分子名称: MCherry fluorescent protein, mCherry's nanobody LaM2
著者Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
登録日2018-11-09
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.393 Å)
主引用文献Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
6IR1
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Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution
分子名称: MCherry fluorescent protein, mCherry's nanobody LaM4
著者Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
登録日2018-11-09
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
分子名称: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-25
公開日2018-08-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) 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 (2.09192252 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
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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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
2FG8
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BU of 2fg8 by Molmil
Structure of Human Ferritin L Chain
分子名称: CESIUM ION, Ferritin light chain
著者Wang, Z.M, Li, C, Ellenburg, M.P, Ruble, J.R, Ho, J.X, Carter, D.C.
登録日2005-12-21
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of human ferritin L chain.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
6NNR
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BU of 6nnr by Molmil
high-resolution structure of wild-type E. coli thymidylate synthase
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stroud, R.M, Finer-Moore, J.
登録日2019-01-15
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
5NC5
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Crystal structure of AcrBZ in complex with antibiotic puromycin
分子名称: DARPin, DECANE, DODECANE, ...
著者Du, D, Luisi, B.
登録日2017-03-03
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump.
Elife, 6, 2017
4LB2
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X-ray study of human serum albumin complexed with idarubicin
分子名称: IDARUBICIN, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-20
公開日2013-07-24
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
4LB9
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X-ray study of human serum albumin complexed with etoposide
分子名称: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-20
公開日2013-07-24
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013

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