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6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
分子名称: BICINE, Cytochrome P450, GLYCEROL, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-21
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
分子名称: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
著者Stuckey, J.
登録日2021-03-22
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
5DDV
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BU of 5ddv by Molmil
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Liu, Z.H.
登録日2018-12-30
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
5DDT
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BU of 5ddt by Molmil
Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6J1X
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BU of 6j1x by Molmil
WWP1 close conformation
分子名称: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
著者Liu, Z.H.
登録日2018-12-30
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
6J1Y
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BU of 6j1y by Molmil
Semi-open conformation E3 ligase
分子名称: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
著者Liu, Z.H.
登録日2018-12-30
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
8KG9
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BU of 8kg9 by Molmil
Yeast replisome in state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (4.52 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG8
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BU of 8kg8 by Molmil
Yeast replisome in state II
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG6
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BU of 8kg6 by Molmil
Yeast replisome in state I
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
3SHZ
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BU of 3shz by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SHY
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BU of 3shy by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3OQ7
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BU of 3oq7 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OQA
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BU of 3oqa by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OQD
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BU of 3oqd by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
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
8W7S
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BU of 8w7s by Molmil
Yeast replisome in state IV
分子名称: Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D.
登録日2023-08-31
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (7.39 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
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
1MB6
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BU of 1mb6 by Molmil
Three dimensional solution structure of huwentoxin-IV by 2D 1H-NMR
分子名称: huwentoxin-iv
著者Peng, K, Shu, Q, Liang, S.P.
登録日2002-08-02
公開日2002-08-21
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Function and solution structure of huwentoxin-IV, a potent neuronal tetrodotoxin (TTX)-sensitive sodium channel antagonist from Chinese bird spider Selenocosmia huwena
J.Biol.Chem., 277, 2002
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-03-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
3ML8
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Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
分子名称: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R.
登録日2010-04-16
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021

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