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6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
著者Pathuri, S, Horton, J.R, Cheng, X.
登録日2020-06-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-06-26
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
著者Sheriff, S.
登録日2010-03-15
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
1AYM
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BU of 1aym by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION
分子名称: HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ...
著者Hadfield, A.T, Rossmann, M.G.
登録日1997-11-06
公開日1998-01-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The refined structure of human rhinovirus 16 at 2.15 A resolution: implications for the viral life cycle.
Structure, 5, 1997
1C8M
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BU of 1c8m by Molmil
REFINED CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS 16 COMPLEXED WITH VP63843 (PLECONARIL), AN ANTI-PICORNAVIRAL DRUG CURRENTLY IN CLINICAL TRIALS
分子名称: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, HUMAN RHINOVIRUS 16 COAT PROTEIN, ZINC ION
著者Chakravarty, S, Bator, C.M, Pevear, D.C, Diana, G.D, Rossmann, M.G.
登録日2000-05-26
公開日2000-11-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献THE REFINED STRUCTURE OF A PICORNAVIRUS INHIBITOR CURRENTLY IN CLINICAL TRIALS, WHEN COMPLEXED WITH HUMAN RHINOVIRUS 16
to be published
4ZEJ
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BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
分子名称: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2015-04-20
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
1AYN
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BU of 1ayn by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN
分子名称: HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ...
著者Hadfield, A.T, Oliveira, M.A, Zhao, R, Rossmann, M.G.
登録日1997-11-06
公開日1998-01-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structure of human rhinovirus 16.
Structure, 1, 1993
1ZAG
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BU of 1zag by Molmil
HUMAN ZINC-ALPHA-2-GLYCOPROTEIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chirino, A.J, Sanchez, L.M, Bjorkman, P.J.
登録日1999-02-02
公開日1999-03-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human ZAG, a fat-depleting factor related to MHC molecules.
Science, 283, 1999
5AGV
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BU of 5agv by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
6Y1J
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BU of 6y1j by Molmil
14-3-3 sigma in complex with IkappaBalpha pS63 peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-02-12
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.127 Å)
主引用文献Interaction of an I kappa B alpha Peptide with 14-3-3.
Acs Omega, 5, 2020
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNX
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BU of 7qnx by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
6Y7S
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BU of 6y7s by Molmil
2.85 A cryo-EM structure of the in vivo assembled type 1 pilus rod
分子名称: Type-1 fimbrial protein, A chain
著者Zyla, D, Hospenthal, M, Waksman, G, Glockshuber, R.
登録日2020-03-02
公開日2021-03-31
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili.
Nat Commun, 15, 2024
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
1CD3
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BU of 1cd3 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
分子名称: PROTEIN (CAPSID PROTEIN GPF), PROTEIN (SCAFFOLDING PROTEIN GPB), PROTEIN (SCAFFOLDING PROTEIN GPD), ...
著者Rossmann, M.G, Dokland, T.
登録日1999-03-05
公開日1999-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The role of scaffolding proteins in the assembly of the small, single-stranded DNA virus phiX174.
J.Mol.Biol., 288, 1999
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
分子名称: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
著者Renatus, M, Stubbs, M.T, Bode, W.
登録日1998-02-17
公開日1999-03-23
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
6ZM2
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BU of 6zm2 by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with ADP-BeF3 and ssRNA
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hamann, F, Ficner, R.
登録日2020-07-01
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Prp2 bound to RNA and ADP-BeF 3 - reveals structural features important for RNA unwinding by DEAH-box ATPases.
Acta Crystallogr D Struct Biol, 77, 2021
4XMK
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BU of 4xmk by Molmil
Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424 in complex with JR-FL V3 peptide
分子名称: HIV-1 JR-FL gp120 V3 peptide, Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424
著者Kong, X.-P, Pan, R.
登録日2015-01-14
公開日2015-07-08
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (3.179 Å)
主引用文献Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL.
J.Virol., 89, 2015
4XML
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BU of 4xml by Molmil
Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424
分子名称: Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424
著者Pan, R, Kong, X.-P.
登録日2015-01-14
公開日2015-07-08
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL.
J.Virol., 89, 2015
4WZS
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BU of 4wzs by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP and NC2 bound to a promoter DNA fragment
分子名称: DNA (5'-D(P*CP*CP*AP*CP*CP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*GP*GP*TP*GP*G)-3'), ECU04_1440 protein, ...
著者Butryn, A, Hopfner, K.-P.
登録日2014-11-20
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.78 Å)
主引用文献Structural basis for recognition and remodeling of the TBP:DNA:NC2 complex by Mot1.
Elife, 4, 2015
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
分子名称: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
著者Sack, J.S.
登録日2009-07-09
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009

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