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2K4U
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BU of 2k4u by Molmil
Solution structure of the SCORPION TOXIN ADWX-1
分子名称: Potassium channel toxin alpha-KTx 3.6
著者Yin, S.J, Jiang, L, Yi, H, Han, S, Yang, D.W, Liu, M.L, Liu, H, Cao, Z.J, Wu, Y.L, Li, W.X.
登録日2008-06-18
公開日2008-12-09
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Different Residues in Channel Turret Determining the Selectivity of ADWX-1 Inhibitor Peptide between Kv1.1 and Kv1.3 Channels
J.Proteome Res., 7, 2008
7XK8
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BU of 7xk8 by Molmil
Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25
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-1, ...
著者Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q.
登録日2022-04-19
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand recognition and activation of neuromedin U receptor 2.
Nat Commun, 13, 2022
7X4B
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BU of 7x4b by Molmil
Crystal Structure of An Anti-CRISPR Protein
分子名称: Anti-CRISPR protein (AcrIIC1), SULFATE ION
著者Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J.
登録日2022-03-02
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
4HCT
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BU of 4hct by Molmil
Crystal structure of ITK in complex with compound 52
分子名称: 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK
著者Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G.
登録日2012-10-01
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
1WWJ
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BU of 1wwj by Molmil
crystal structure of KaiB from Synechocystis sp.
分子名称: Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ...
著者Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D.
登録日2005-01-06
公開日2005-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm.
J.Biol.Chem., 280, 2005
7C7Q
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BU of 7c7q by Molmil
Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state
分子名称: (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ...
著者Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y.
登録日2020-05-26
公開日2020-07-01
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
7C2S
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BU of 7c2s by Molmil
Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10
分子名称: Heavy chain of Fab C10, envelope protein, light chain of Fab C10
著者Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
登録日2020-05-09
公開日2020-07-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (10.4 Å)
主引用文献High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7C2T
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BU of 7c2t by Molmil
Helical reconstruction of Zika virus complexed with Fab C10
分子名称: Heavy chain from Fab C10, Light chain from Fab C10, M protein, ...
著者Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
登録日2020-05-09
公開日2020-07-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7C7S
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BU of 7c7s by Molmil
Cryo-EM structure of the CGP54626-bound human GABA(B) receptor in inactive state.
分子名称: (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ...
著者Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y.
登録日2020-05-26
公開日2020-07-01
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
分子名称: Pachytene checkpoint protein 2 homolog
著者Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
登録日2019-12-17
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
1YC1
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BU of 1yc1 by Molmil
Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles
分子名称: 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha
著者Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X.
登録日2004-12-21
公開日2005-02-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
1YC4
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BU of 1yc4 by Molmil
Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles
分子名称: 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE, Heat shock protein HSP 90-alpha
著者Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X.
登録日2004-12-21
公開日2005-02-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
1YC3
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BU of 1yc3 by Molmil
Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles
分子名称: 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha
著者Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X.
登録日2004-12-21
公開日2005-02-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZL
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BU of 1zzl by Molmil
Crystal structure of P38 with triazolopyridine
分子名称: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14
著者McClure, K.F, Han, S.
登録日2005-06-14
公開日2005-09-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005
1ZPG
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BU of 1zpg by Molmil
Arginase I covalently modified with propylamine at Q19C
分子名称: Arginase 1, MANGANESE (II) ION
著者Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E.
登録日2005-05-16
公開日2005-12-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
1ZPE
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BU of 1zpe by Molmil
Arginase I covalently modified with butylamine at Q19C
分子名称: Arginase 1, MANGANESE (II) ION
著者Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E.
登録日2005-05-16
公開日2005-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
7KDP
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BU of 7kdp by Molmil
HCMV prefusion gB in complex with fusion inhibitor WAY-174865
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
著者Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
登録日2020-10-09
公開日2021-03-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
7KDD
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BU of 7kdd by Molmil
HCMV postfusion gB in complex with SM5-1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
著者Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
登録日2020-10-08
公開日2021-03-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
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
7CKR
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BU of 7ckr by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation.
分子名称: 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-07-18
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
7CKO
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BU of 7cko by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation
分子名称: 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-07-18
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
8P1U
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BU of 8p1u by Molmil
Structure of divisome complex FtsWIQLB
分子名称: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ...
著者Yang, L, Chang, S, Tang, D, Dong, H.
登録日2023-05-12
公開日2024-05-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the activation of the divisome complex FtsWIQLB.
Cell Discov, 10, 2024
7BV2
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BU of 7bv2 by Molmil
The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E.
登録日2020-04-09
公開日2020-04-22
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
7BV1
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Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E.
登録日2020-04-09
公開日2020-04-22
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020

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