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7C3C
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BU of 7c3c by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose
分子名称: AofleA, GLYCEROL, alpha-D-mannopyranose, ...
著者Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
登録日2020-05-12
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
6A8N
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BU of 6a8n by Molmil
The crystal structure of muPAin-1-IG-2 in complex with muPA-SPD at pH8.5
分子名称: CYS-PRO-ALA-TYR-SER-ARG-TYR-ILE-GLY-CYS, Urokinase-type plasminogen activator B
著者Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z.
登録日2018-07-09
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.489 Å)
主引用文献Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides.
J.Med.Chem., 62, 2019
7C37
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BU of 7c37 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora
分子名称: AofleA, BICINE
著者Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
登録日2020-05-11
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
2BDJ
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BU of 2bdj by Molmil
Src kinase in complex with inhibitor AP23464
分子名称: 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
7F59
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BU of 7f59 by Molmil
DNQX-bound GluK2-1xNeto2 complex
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
著者He, L.L, Gao, Y.W, Li, B, Zhao, Y.
登録日2021-06-21
公開日2021-09-29
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F56
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BU of 7f56 by Molmil
DNQX-bound GluK2-1xNeto2 complex, with asymmetric LBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
著者He, L.L, Gao, Y.W, Li, B, Zhao, Y.
登録日2021-06-21
公開日2021-09-29
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F57
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BU of 7f57 by Molmil
Kainate-bound GluK2-1xNeto2 complex, at the desensitized state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
著者He, L.L, Gao, Y.W, Li, B, Zhao, Y.
登録日2021-06-21
公開日2021-09-29
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F5B
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BU of 7f5b by Molmil
LBD-TMD focused reconstruction of DNQX-bound GluK2-1xNeto2 complex
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者He, L.L, Gao, Y.W, Li, B, Zhao, Y.
登録日2021-06-21
公開日2021-09-29
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F5A
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BU of 7f5a by Molmil
DNQX-bound GluK2-2xNeto2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
著者He, L.L, Gao, Y.W, Li, B, Zhao, Y.
登録日2021-06-21
公開日2021-09-29
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Kainate receptor modulation by NETO2.
Nature, 599, 2021
1IJR
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BU of 1ijr by Molmil
Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic
分子名称: (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK
著者Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R.
登録日2001-04-27
公開日2002-05-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
3WSQ
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BU of 3wsq by Molmil
Structure of HER2 with an Fab
分子名称: Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2
著者Fu, W.Y, Wang, Y.X, Zhou, L.J.
登録日2014-03-20
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies.
MAbs, 6, 2014
4NOO
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BU of 4noo by Molmil
Molecular mechanism for self-protection against type VI secretion system in Vibrio cholerae
分子名称: Putative uncharacterized protein, VgrG protein
著者Yang, X, Xu, M, Jiang, T, Fan, Z.
登録日2013-11-20
公開日2014-04-09
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism for self-protection against the type VI secretion system in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 70, 2014
1Z98
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BU of 1z98 by Molmil
Crystal structure of the spinach aquaporin SoPIP2;1 in a closed conformation
分子名称: CADMIUM ION, aquaporin
著者Tornroth-Horsefield, S, Hedfalk, K, Johanson, U, Karlsson, M, Neutze, R, Kjellbom, P.
登録日2005-04-01
公開日2005-12-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural mechanism of plant aquaporin gating
Nature, 439, 2006
4RE8
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BU of 4re8 by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 5
分子名称: 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
分子名称: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-10-27
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
8DIQ
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BU of 8diq by Molmil
Tubulin-RB3_SLD-TTL in complex with SB226
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2022-06-29
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
6V0B
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BU of 6v0b by Molmil
Unliganded ELIC in POPC-only nanodiscs.
分子名称: Gamma-aminobutyric-acid receptor subunit beta-1
著者Grosman, C, Kumar, P.
登録日2019-11-18
公開日2020-01-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
著者Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
6V03
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BU of 6v03 by Molmil
ELIC-propylammonium complex in POPC-only nanodiscs
分子名称: 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1
著者Grosman, C, Kumar, P.
登録日2019-11-18
公開日2020-01-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
3LDN
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BU of 3ldn by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form
分子名称: 78 kDa glucose-regulated protein
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LDQ
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BU of 3ldq by Molmil
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
分子名称: 8-[(quinolin-2-ylmethyl)amino]adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
7B52
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BU of 7b52 by Molmil
VAR2CSA full ectodomain
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
登録日2020-12-03
公開日2021-04-21
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
3G49
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BU of 3g49 by Molmil
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
分子名称: 11-beta-hydroxysteroid dehydrogenase 1, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pauly, T.A.
登録日2009-02-03
公開日2009-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
分子名称: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
著者Zhou, A, Zhang, F.
登録日2017-07-05
公開日2017-09-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
3LDP
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BU of 3ldp by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with small molecule inhibitor
分子名称: 78 kDa glucose-regulated protein, 8-[(quinolin-2-ylmethyl)amino]adenosine
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011

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