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7BZH
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BU of 7bzh by Molmil
Solution structure of a DNA binding protein from Sulfolobus islandicus
分子名称: Sul7s
著者Zhang, Z, Liu, X.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Novel Family of Winged-Helix Single-Stranded DNA-Binding Proteins from Archaea.
Int J Mol Sci, 23, 2022
2B4C
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BU of 2b4c by Molmil
Crystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, T-cell surface glycoprotein CD4, ...
著者Huang, C, Tang, M, Zhang, M.Y, Majeed, S, Montabana, E, Stanfield, R.L, Dimitrov, D.S, Korber, B, Sodroski, J, Wilson, I.A, Wyatt, R, Kwong, P.D.
登録日2005-09-23
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of a V3-containing HIV-1 gp120 core.
Science, 310, 2005
5MRW
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BU of 5mrw by Molmil
Structure of the KdpFABC complex
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ...
著者Huang, C, Pedersen, B.P, Stokes, D.L.
登録日2016-12-27
公開日2017-06-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the potassium-importing KdpFABC membrane complex.
Nature, 546, 2017
2RD0
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BU of 2rd0 by Molmil
Structure of a human p110alpha/p85alpha complex
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, C, Gabelli, S.B, Amzel, L.M.
登録日2007-09-20
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations.
Science, 318, 2007
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
8W5K
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BU of 8w5k by Molmil
Cryo-EM structure of the yeast TOM core complex crosslinked by BS3 (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
8W5J
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BU of 8w5j by Molmil
Cryo-EM structure of the yeast TOM core complex (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
8JGO
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BU of 8jgo by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGP
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BU of 8jgp by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with pyrophosphate
分子名称: Exopolyphosphatase, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGQ
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BU of 8jgq by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with P5
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGR
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BU of 8jgr by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase in the presence of Pi
分子名称: Exopolyphosphatase, PHOSPHATE ION, POTASSIUM ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGT
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BU of 8jgt by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGU
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BU of 8jgu by Molmil
Crystal structure of N-terminal domain of exopolyphosphatase from Deinococcus radiodurans
分子名称: Exopolyphosphatase, SODIUM ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGW
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BU of 8jgw by Molmil
Crystal structure of Klebsiella pneumoniae exopolyphosphatase
分子名称: Exopolyphosphatase, GLYCEROL, MAGNESIUM ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
8JGX
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BU of 8jgx by Molmil
Crystal structure of Acinetobacter baumannii exopolyphosphatase
分子名称: Exopolyphosphatase
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 2024
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
分子名称: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
1L3M
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BU of 1l3m by Molmil
The Solution Structure of [d(CGC)r(amamam)d(TTTGCG)]2
分子名称: 5'-D(*CP*GP*C)-R(P*(A39)P*(A39)P*(A39))-D(P*TP*TP*TP*GP*CP*G)-3'
著者Tsao, Y.P, Wang, L.Y, Hsu, S.T, Jain, M.L, Chou, S.H, Huang, W.C, Cheng, J.W.
登録日2002-02-28
公開日2002-04-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The solution structure of [d(CGC)r(amamam)d(TTTGCG)]2.
J.Biomol.NMR, 21, 2001
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
分子名称: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
著者Orth, P.
登録日2021-08-02
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
5TKB
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BU of 5tkb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND
分子名称: ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ...
著者Sack, J.S.
登録日2016-10-06
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
5TKD
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
分子名称: 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.K.
登録日2016-10-06
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
7MP6
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Neurofibromin homodimer
分子名称: Isoform I of Neurofibromin
著者Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
登録日2021-05-04
公開日2021-12-15
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (6.25 Å)
主引用文献The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7MP5
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Autoinhibited neurofibrobmin
分子名称: Isoform I of Neurofibromin
著者Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
登録日2021-05-04
公開日2021-12-15
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7MOC
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Neurofibromin core
分子名称: Isoform I of Neurofibromin
著者Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
登録日2021-05-01
公開日2021-12-15
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (4.56 Å)
主引用文献The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021

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