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4OUN
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BU of 4oun by Molmil
Crystal Structure of Mini-ribonuclease 3 from Bacillus subtilis
分子名称: Mini-ribonuclease 3
著者Chojnowski, G, Czarnecka, J, Nowak, E, Pianka, D, Glow, D, Sabala, I, Skowronek, K, Nowotny, M, Bujnicki, J.M.
登録日2014-02-18
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sequence-specific cleavage of dsRNA by Mini-III RNase
Nucleic Acids Res., 43, 2015
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
4A7J
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BU of 4a7j by Molmil
Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance
分子名称: HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5
著者Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E.
登録日2011-11-14
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance
Nat.Struct.Mol.Biol., 19, 2012
5A4C
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BU of 5a4c by Molmil
FGFR1 ligand complex
分子名称: 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5A46
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FGFR1 in complex with dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
1A0E
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BU of 1a0e by Molmil
XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA
分子名称: COBALT (II) ION, XYLOSE ISOMERASE
著者Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
1A0D
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BU of 1a0d by Molmil
XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS
分子名称: MANGANESE (II) ION, XYLOSE ISOMERASE
著者Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
1A0C
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BU of 1a0c by Molmil
XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES
分子名称: COBALT (II) ION, XYLOSE ISOMERASE
著者Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D.
登録日1997-11-28
公開日1998-06-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
分子名称: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
著者Orth, P.
登録日2015-05-07
公開日2015-08-05
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
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, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4V
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BU of 5j4v by Molmil
The crystal structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J47
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The X-ray structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J40
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The X-ray structure of JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5JZ7
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BU of 5jz7 by Molmil
NGF IN COMPLEX WITH MEDI578 scFv
分子名称: Beta-nerve growth factor, MEDI578 scFv, heavy chain, ...
著者Olsson, L.-L, Aagaard, A.
登録日2016-05-16
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo.
Sci Rep, 6, 2016
6BFT
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BU of 6bft by Molmil
Structure of Bevacizumab Fab mutant in complex with VEGF
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Avastin Heavy Chain Fab fragment mutant, Avastin Light Chain Fab fragment mutant, ...
著者Christie, M, Christ, D.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Stable human IgG antibody therapeutics with native framework structure
To Be Published
6BGT
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BU of 6bgt by Molmil
Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin heavy chain Fab fragment mutant, Herceptin light chain mutant, ...
著者Christie, M, Christ, D.
登録日2017-10-29
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stable human IgG antibody therapeutics with native framework structure
To Be Published
194L
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BU of 194l by Molmil
THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION
著者Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
登録日1995-09-01
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
193L
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BU of 193l by Molmil
THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION
著者Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
登録日1995-09-01
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
8QFY
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Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2023-09-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 121, 2024

 

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