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4DQU
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BU of 4dqu by Molmil
Mycobacterium tuberculosis InhA-D148G mutant in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
登録日2012-02-16
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
8DER
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BU of 8der by Molmil
Cryo-EM local refinement of antibody SKV16 in complex with VEEV alphavirus spike glycoprotein
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, SKV16 Fab Heavy Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DEQ
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BU of 8deq by Molmil
Cryo-EM local refinement of antibody SKV09 in complex with VEEV alphavirus spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKV09 Fab Heavy Chain, SKV09 Fab Light Chain, ...
著者Casner, R.G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-06-21
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
4BYJ
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BU of 4byj by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4BYI
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BU of 4byi by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
5CTC
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BU of 5ctc by Molmil
Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
分子名称: Acetyl-CoA carboxylase, SULFATE ION, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTB
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BU of 5ctb by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one
分子名称: 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
5CTE
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BU of 5cte by Molmil
Humanized yeast ACC carboxyltransferase domain bound to 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
分子名称: 2,2-dimethylpropyl (1S)-1-methyl-8-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.F.
登録日2015-07-23
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
8DUL
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BU of 8dul by Molmil
Cryo-EM Structure of Antibody SKT05 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles)
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, Antibody Fab SKT05 heavy chain, ...
著者Cerutti, G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-07-27
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DUN
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BU of 8dun by Molmil
Cryo-EM Structure of Antibody SKW11 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles)
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, Antibody SKW11 heavy chain, ...
著者Cerutti, G, Verardi, R, Roederer, M, Shapiro, L.
登録日2022-07-27
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (5.84 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8ELI
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BU of 8eli by Molmil
Broadly neutralizing antibody VRC34-combo.1 in complex with HIV fusion peptide (residue 512-519)
分子名称: Fusion peptide, VRC34-combo.1 Fab Heavy chain, VRC34-combo.1 Fab Light chain
著者Xu, K, Kwong, P.D.
登録日2022-09-24
公開日2023-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8F7Z
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BU of 8f7z by Molmil
VRC34.01_mm28 bound to fusion peptide
分子名称: HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain
著者Olia, A.S, Kwong, P.D.
登録日2022-11-21
公開日2023-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
5HBH
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BU of 5hbh by Molmil
CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide
分子名称: 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5HBE
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BU of 5hbe by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one
分子名称: 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5FGK
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BU of 5fgk by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 1,2-ETHANEDIOL, 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-20
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
分子名称: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
著者Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
登録日2023-08-24
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
6SGO
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BU of 6sgo by Molmil
NMR structure of MLP124017
分子名称: Secreted protein
著者Barthe, P, de Guillen, K, Padilla, A, Hecker, A.
登録日2019-08-05
公開日2019-12-18
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
5HBJ
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BU of 5hbj by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
2OJK
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BU of 2ojk by Molmil
Crystal Structure of Green Fluorescent Protein from Zoanthus sp at 2.2 A Resolution
分子名称: GFP-like fluorescent chromoprotein FP506
著者Pletneva, N.V, Pletnev, S.V, Tikhonova, T.V, Pletnev, V.Z.
登録日2007-01-12
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined crystal structures of red and green fluorescent proteins from the button polyp Zoanthus.
Acta Crystallogr.,Sect.D, 63, 2007
2PXW
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BU of 2pxw by Molmil
Crystal Structure of N66D Mutant of Green Fluorescent Protein from Zoanthus sp. at 2.4 A Resolution (Transition State)
分子名称: GFP-like fluorescent chromoprotein FP506
著者Pletnev, S.V, Pletneva, N.V, Tikhonova, T.V, Pletnev, V.Z.
登録日2007-05-14
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Refined crystal structures of red and green fluorescent proteins from the button polyp Zoanthus.
Acta Crystallogr.,Sect.D, 63, 2007
2PXS
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BU of 2pxs by Molmil
Crystal Structure of N66D Mutant of Green Fluorescent Protein from Zoanthus sp. at 2.2 A Resolution (Mature State)
分子名称: GFP-like fluorescent chromoprotein FP506
著者Pletnev, S.V, Pletneva, N.V, Tikhonova, T.V, Pletnev, V.Z.
登録日2007-05-14
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined crystal structures of red and green fluorescent proteins from the button polyp Zoanthus.
Acta Crystallogr.,Sect.D, 63, 2007
2YLE
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BU of 2yle by Molmil
Crystal structure of the human Spir-1 KIND FSI domain in complex with the FSI peptide
分子名称: FORMIN-2, PROTEIN SPIRE HOMOLOG 1
著者Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E.
登録日2011-06-01
公開日2011-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
2YLF
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BU of 2ylf by Molmil
Crystal structure of the human Spir-1 KIND domain
分子名称: PROTEIN SPIRE HOMOLOG 1
著者Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E.
登録日2011-06-01
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
2N64
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BU of 2n64 by Molmil
NMR Structure of the C-terminal Coiled-Coil Domain of CIN85
分子名称: SH3 domain-containing kinase-binding protein 1
著者Habeck, M, Becker, S, Griesinger, C, Wong, L.E.
登録日2015-08-11
公開日2016-07-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The adaptor protein CIN85 assembles intracellular signaling clusters for B cell activation.
Sci.Signal., 9, 2016
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

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