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7SPS
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BU of 7sps by Molmil
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7ZCK
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BU of 7zck by Molmil
Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate
分子名称: CHLORIDE ION, PHOSPHATE ION, Phosphonate ABC type transporter/ substrate binding component
著者Mikolajek, H, Shah, B.S, Paulsen, I.T, Sandy, J, Sanchez-Weatherby, J.
登録日2022-03-28
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
4NOS
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BU of 4nos by Molmil
HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE WITH INHIBITOR
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, ...
著者Fischmann, T.O, Weber, P.C.
登録日1999-02-03
公開日2000-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation.
Nat.Struct.Biol., 6, 1999
4NY9
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BU of 4ny9 by Molmil
Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2013-12-10
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J.Med.Chem., 57, 2014
1ZAT
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BU of 1zat by Molmil
Crystal Structure of an Enterococcus faecium peptidoglycan binding protein at 2.4 A resolution
分子名称: L,D-transpeptidase, SULFATE ION, ZINC ION
著者Biarrotte-Sorin, S, Hugonnet, J.-E, Mainardi, J.-L, Gutmann, L, Rice, L, Arthur, M, Mayer, C.
登録日2005-04-07
公開日2006-03-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a Novel beta-Lactam-insensitive Peptidoglycan Transpeptidase.
J.Mol.Biol., 359, 2006
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6CY0
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BU of 6cy0 by Molmil
RNA octamer containing 2'-F, 4'-Cbeta-OMe U.
分子名称: RNA (5'-R(*(CBV)P*GP*AP*AP*(UFB)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2018-04-04
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity.
Nucleic Acids Res., 46, 2018
8AMZ
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BU of 8amz by Molmil
Spinach 19S proteasome
分子名称: 26S proteasome non-ATPase regulatory subunit 1 homolog, 26S proteasome non-ATPase regulatory subunit 2 homolog, 26S proteasome regulatory subunit 7, ...
著者Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
登録日2022-08-04
公開日2022-08-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the plant 26S proteasome
Plant Communications, 3, 2022
1JIL
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BU of 1jil by Molmil
Crystal structure of S. aureus TyrRS in complex with SB284485
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1A
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BU of 6e1a by Molmil
Menin bound to M-89
分子名称: (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate
著者Stuckey, J.A.
登録日2018-07-09
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
1JIJ
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BU of 1jij by Molmil
Crystal structure of S. aureus TyrRS in complex with SB-239629
分子名称: [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase
著者Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L.
登録日2001-07-02
公開日2001-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors.
Protein Sci., 10, 2001
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7UIQ
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BU of 7uiq by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, T-lymphoma invasion and metastasis-inducing protein 1
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2022-03-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UIR
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BU of 7uir by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2022-03-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UIS
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BU of 7uis by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, NMDA 2B
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2022-03-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
8A9D
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BU of 8a9d by Molmil
Multicrystal room temperature structure of Lysozyme collected using a double multilayer monochromator.
分子名称: Lysozyme, SODIUM ION
著者Sandy, J, Cheruvara, H, Mikolajek, H, Sanchez-Weatherby, J.
登録日2022-06-28
公開日2022-07-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
7UJT
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BU of 7ujt by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2022-03-31
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJS
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BU of 7ujs by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
著者Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C.
登録日2022-03-31
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJR
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BU of 7ujr by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
著者Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C.
登録日2022-03-31
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7S59
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BU of 7s59 by Molmil
Crystal structure of the tick evasin EVA-P974 complexed to a chimera made of human chemokines CCL7 and CCL8
分子名称: Evasin P974, SULFATE ION, chimera protein of C-C motif chemokine 7 and C-C motif chemokine 8,C-C motif chemokine 7
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S58
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Crystal Structure of the tick evasin EVA-P974 complexed to human chemokine CCL7
分子名称: C-C motif chemokine 7, Evasin P974
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022

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