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5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
分子名称: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
1CEG
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BU of 1ceg by Molmil
CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE
分子名称: CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
著者Knox, J.R, Kuzin, A.P.
登録日1995-01-12
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
1CEF
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BU of 1cef by Molmil
CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Knox, J.R, Kuzin, A.P.
登録日1995-01-12
公開日1996-10-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases.
Biochemistry, 34, 1995
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
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
4L04
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BU of 4l04 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L06
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Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
分子名称: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3O51
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BU of 3o51 by Molmil
Crystal structure of anthranilamide 10 bound to AuroraA
分子名称: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
著者Huang, X.
登録日2010-07-27
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
5YIS
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BU of 5yis by Molmil
Crystal Structure of AnkB LIR/LC3B complex
分子名称: Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ...
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIQ
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BU of 5yiq by Molmil
Crystal structure of AnkG LIR/LC3B complex
分子名称: Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIR
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BU of 5yir by Molmil
Crystal Structure of AnkB LIR/GABARAP complex
分子名称: Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIP
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BU of 5yip by Molmil
Crystal Structure of AnkG LIR/GABARAPL1 complex
分子名称: Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1
著者Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
登録日2017-10-06
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
3AME
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BU of 3ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 Q9TQ44T
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
3CHH
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BU of 3chh by Molmil
Crystal Structure of Di-iron AurF
分子名称: MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase
著者Zhang, H, Brunzelle, J.S, Nair, S.K.
登録日2008-03-09
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CHI
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BU of 3chi by Molmil
Crystal Structure of Di-iron AurF (Monoclinic form)
分子名称: MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase
著者Zhang, H, Brunzelle, J.S, Nair, S.K.
登録日2008-03-09
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CHU
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BU of 3chu by Molmil
Crystal Structure of Di-iron Aurf
分子名称: MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase
著者Zhang, H, Brunzelle, J.S, Nair, S.K.
登録日2008-03-10
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4HGS
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BU of 4hgs by Molmil
Crystal structure of ck1gs with compound 13
分子名称: 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of ck1gs with compound 13
Acs Med.Chem.Lett
4G59
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BU of 4g59 by Molmil
Crystal structure of the murine cytomegalovirus MHC-I homolog m152 with ligand RAE-1 gamma
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, M152 protein, Retinoic acid early-inducible protein 1-gamma
著者Wang, R, Natarajan, K, Margulies, D.H.
登録日2012-07-17
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural basis of mouse cytomegalovirus m152/gp40 interaction with RAE1gamma reveals a paradigm for MHC/MHC interaction in immune evasion.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RDN
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BU of 3rdn by Molmil
NMR STRUCTURE OF THE N-TERMINAL DOMAIN WITH A LINKER PORTION OF ANTARCTIC EEL POUT ANTIFREEZE PROTEIN RD3, MINIMIZED AVERAGE STRUCTURE
分子名称: ANTIFREEZE PROTEIN RD3 TYPE III
著者Miura, K, Ohgiya, S, Hoshino, T, Nemoto, N, Hikichi, K, Tsuda, S.
登録日1998-02-24
公開日1999-02-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for the binding of a globular antifreeze protein to ice.
Nature, 384, 1996
7AME
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BU of 7ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T15A
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
7SWW
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BU of 7sww by Molmil
SARS-CoV-2 Spike NTD in complex with neutralizing Fab SARS2-57 (local refinement)
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, SARS2-57 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2021-11-21
公開日2022-11-23
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献A protective antibody targeting the N-terminal domain of SARS-CoV-2 spike recognizes most emerging variants
To Be Published
7SWX
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BU of 7swx by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-57 (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, SARS2-57 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2021-11-21
公開日2022-11-23
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献A protective antibody targeting the N-terminal domain of SARS-CoV-2 spike recognizes most emerging variants
To Be Published

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