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4TQ1
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BU of 4tq1 by Molmil
Crystal structure of human ATG5-TECAIR
分子名称: Autophagy protein 5, Tectonin beta-propeller repeat-containing protein 1
著者Kim, J.H, Hong, S.B, Song, H.K.
登録日2014-06-10
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Insights into autophagosome maturation revealed by the structures of ATG5 with its interacting partners
Autophagy, 11, 2015
4TQ0
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BU of 4tq0 by Molmil
Crystal structure of human ATG5-ATG16N69
分子名称: Autophagy protein 5, Autophagy-related protein 16-1
著者Kim, J.H, Hong, S.B, Song, H.K.
登録日2014-06-10
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Insights into autophagosome maturation revealed by the structures of ATG5 with its interacting partners
Autophagy, 11, 2015
5DEK
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BU of 5dek by Molmil
RNA octamer containing dT
分子名称: COBALT HEXAMMINE(III), RNA oligonucleotide containing dT
著者Harp, J.M, Egli, M.
登録日2015-08-25
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
8WXV
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BU of 8wxv by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B
分子名称: SET1B, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXX
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BU of 8wxx by Molmil
Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
分子名称: SET1B, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXT
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Structure of WDR5 in complex with WIN motif containing MBD3C R45E/V46G
分子名称: MBD3C, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXQ
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BU of 8wxq by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C
分子名称: GLY-ALA-ALA-ARG-CYS-ARG-VAL-PHE-SER-PRO, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXU
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BU of 8wxu by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C C44S/R45E/V46G
分子名称: MBD3C, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXR
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BU of 8wxr by Molmil
Structure of WDR5 in complex with WIN motif containing MBD3C F47A
分子名称: MBD3C, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
1TK9
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BU of 1tk9 by Molmil
Crystal Structure of Phosphoheptose isomerase 1
分子名称: Phosphoheptose isomerase 1
著者Rajashankar, K.R, Solorzano, V, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-06-08
公開日2004-06-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of two putative phosphoheptose isomerases.
Proteins, 63, 2006
6M32
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BU of 6m32 by Molmil
Cryo-EM structure of FMO-RC complex from green sulfur bacteria
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
著者Chen, J.H, Zhang, X.
登録日2020-03-02
公開日2020-11-25
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Architecture of the photosynthetic complex from a green sulfur bacterium.
Science, 370, 2020
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
5K98
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BU of 5k98 by Molmil
Structure of HipA-HipB-O2-O3 complex
分子名称: Antitoxin HipB, DNA (5'-D(*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*G)-3'), ...
著者Schumacher, M.
登録日2016-05-31
公開日2016-06-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.99 Å)
主引用文献HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
6IUV
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BU of 6iuv by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 3C11
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, 3C11 Heavy Chain, 3C11 Light Chain, ...
著者Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
登録日2018-11-30
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
2IVS
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BU of 2ivs by Molmil
Crystal structure of non-phosphorylated RET tyrosine kinase domain
分子名称: 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
登録日2006-06-16
公開日2006-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain.
J.Biol.Chem., 281, 2006
4RCL
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BU of 4rcl by Molmil
Structure of EspG3 chaperone from the type VII (ESX-3) secretion system, space group P43212
分子名称: ESPG3
著者Korotkov, K.V.
登録日2014-09-16
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
6PAU
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BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
分子名称: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
著者Price, I.R, Lin, H.
登録日2019-06-11
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
8UDZ
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BU of 8udz by Molmil
The Structure of LTBP-49247 Fab Bound to TGFbeta1 Small Latent Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LTBP-49247 Fab Heavy Chain, LTBP-49247 Fab Light Chain, ...
著者Streich Jr, F.C, Nicholls, S.B, Boston, C.J, Ramachandran, S.
登録日2023-09-29
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献An antibody that inhibits TGF-beta 1 release from latent extracellular matrix complexes attenuates the progression of renal fibrosis.
Sci.Signal., 17, 2024
7SPD
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BU of 7spd by Molmil
Crystal Structure of The Tetramerization Domain (29-147) From Human Voltage-gated Potassium Channel Kv2.1 in C 2 2 21 Space Group
分子名称: DI(HYDROXYETHYL)ETHER, Potassium voltage-gated channel subfamily B member 1, ZINC ION
著者Xu, Z, Schnicker, N, Baker, S.
登録日2021-11-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pentameric assembly of the Kv2.1 tetramerization domain.
Acta Crystallogr D Struct Biol, 78, 2022
7SPT
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BU of 7spt by Molmil
Crystal structure of exofacial state human glucose transporter GLUT3
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 (2.1 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7SPS
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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
7ONS
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BU of 7ons by Molmil
PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
分子名称: 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONT
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PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
分子名称: 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONR
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PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9)
分子名称: 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021

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