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6LF9
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Crystal structure of pSLA-1*1301 complex with dodecapeptide RVEDVTNTAEYW
分子名称: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen
著者Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
登録日2019-11-30
公開日2021-03-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptidomes and Structures Illustrate How SLA-I Micropolymorphism Influences the Preference of Binding Peptide Length.
Front Immunol, 2022
6LUQ
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BU of 6luq by Molmil
Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
分子名称: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin
著者Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S.
登録日2020-01-30
公開日2020-03-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands.
Nat Commun, 11, 2020
7RSP
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Structure of the VPS34 kinase domain with compound 14
分子名称: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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Structure of the VPS34 kinase domain with compound 5
分子名称: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSJ
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Structure of the VPS34 kinase domain with compound 14
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
5F81
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Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2015-12-08
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HL4
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Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2016-01-21
公開日2016-02-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
6QVJ
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BU of 6qvj by Molmil
HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-03-02
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QVE
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NgCKK (Naegleria Gruberi CKK) decorated 14pf taxol-GDP microtubule
分子名称: Beta1-tubulin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-03-01
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUY
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BU of 6quy by Molmil
NgCKK (N.Gruberi CKK) decorated 13pf taxol-GDP microtubule
分子名称: CKK domain protein, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
7T3V
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BU of 7t3v by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者Webb, C.T, McGowan, S.
登録日2021-12-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
7SRV
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Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2021-11-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
著者Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
登録日2015-06-30
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
1U7H
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Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E.
登録日2004-08-03
公開日2004-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family;
Biochemistry, 43, 2004
4R5V
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Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R7M
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Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-28
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R5X
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Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R76
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Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R5T
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Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R6T
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Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, M17 leucyl aminopeptidase, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
1X7A
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Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
分子名称: 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ...
著者Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M.
登録日2004-08-13
公開日2005-08-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
6B73
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Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
分子名称: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
著者Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
登録日2017-10-03
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
8HBS
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Crystal of rAlfNmt
分子名称: Glycylpeptide N-tetradecanoyltransferase
著者Wang, Y, Wang, S.
登録日2022-10-30
公開日2023-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus.
Microbiol Spectr, 11, 2023

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