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7K9I
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BU of 7k9i by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2B04 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, 2B04 light chain, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9J
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BU of 7k9j by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2H04 (three down conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2H04 heavy chain, ...
Authors:Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
6ABO
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BU of 6abo by Molmil
human XRCC4 and IFFO1 complex
Descriptor: DNA repair protein XRCC4, GLYCEROL, Intermediate filament family orphan 1, ...
Authors:Li, J, Liu, L, Liang, H, Liu, Y, Xu, D.
Deposit date:2018-07-23
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The nucleoskeleton protein IFFO1 immobilizes broken DNA and suppresses chromosome translocation during tumorigenesis.
Nat.Cell Biol., 21, 2019
1QPE
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BU of 1qpe by Molmil
STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, LCK KINASE, SULFATE ION
Authors:Zhu, X, Morgenstern, K.A.
Deposit date:1999-05-24
Release date:2000-05-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
Descriptor: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Lou, Z.Y, Yan, L.M, Ma, Y.Y.
Deposit date:2011-11-05
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012
1QPJ
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BU of 1qpj by Molmil
CRYSTAL STRUCTURE OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH STAUROSPORINE.
Descriptor: LCK TYROSINE KINASE, STAUROSPORINE, SULFATE ION
Authors:Zhu, X, Kim, J.L, Rose, P.E, Stover, D.R, Toledo, L.M.
Deposit date:1999-05-25
Release date:2000-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors.
Structure Fold.Des., 7, 1999
3UNM
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BU of 3unm by Molmil
Crystal Structure of The Human MDC1 FHA Domain
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3UYS
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BU of 3uys by Molmil
Crystal structure of apo human ck1d
Descriptor: Casein kinase I isoform delta, SULFATE ION
Authors:Huang, X.
Deposit date:2011-12-06
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
3UYT
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BU of 3uyt by Molmil
crystal structure of ck1d with PF670462 from P1 crystal form
Descriptor: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION
Authors:Huang, X.
Deposit date:2011-12-06
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
3UMZ
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BU of 3umz by Molmil
Crystal Structure of the human MDC1 FHA Domain
Descriptor: Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-15
Release date:2012-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3UNN
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BU of 3unn by Molmil
Monomeric structure of the human MDC1 FHA domain in complex with an MDC1 phospho-T4 peptide
Descriptor: Mediator of DNA damage checkpoint protein 1, phospho-T4 peptide from Mediator of DNA damage checkpoint protein 1
Authors:Luo, S, Ye, K.
Deposit date:2011-11-16
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3UZP
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BU of 3uzp by Molmil
crystal structure of ck1d with PF670462 from P21 crystal form
Descriptor: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine, Casein kinase I isoform delta
Authors:Huang, X.
Deposit date:2011-12-07
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor.
J.Med.Chem., 55, 2012
3PTE
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BU of 3pte by Molmil
THE REFINED CRYSTALLOGRAPHIC STRUCTURE OF A DD-PEPTIDASE PENICILLIN-TARGET ENZYME AT 1.6 A RESOLUTION
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
Authors:Kelly, J.A, Kuzin, A.P.
Deposit date:1994-08-05
Release date:1995-08-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The refined crystallographic structure of a DD-peptidase penicillin-target enzyme at 1.6 A resolution.
J.Mol.Biol., 254, 1995
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
Descriptor: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
Authors:Huang, X.
Deposit date:2011-02-16
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3OHI
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BU of 3ohi by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
Descriptor: ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
Authors:Herzberg, O, Galkin, A.
Deposit date:2010-08-17
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
3SMA
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BU of 3sma by Molmil
A new N-acetyltransferase fold in the structure and mechanism of the phosphonate biosynthetic enzyme FrbF
Descriptor: ACETYL COENZYME *A, FrbF
Authors:Bae, B, Nair, S.K.
Deposit date:2011-06-27
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:New N-Acetyltransferase Fold in the Structure and Mechanism of the Phosphonate Biosynthetic Enzyme FrbF.
J.Biol.Chem., 286, 2011
3SEK
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BU of 3sek by Molmil
Crystal Structure of the Myostatin:Follistatin-like 3 Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8
Authors:Cash, J.N, Thompson, T.B.
Deposit date:2011-06-10
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding.
J.Biol.Chem., 287, 2012
7SWW
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BU of 7sww by Molmil
SARS-CoV-2 Spike NTD in complex with neutralizing Fab SARS2-57 (local refinement)
Descriptor: 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, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite: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)
Descriptor: 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, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:A protective antibody targeting the N-terminal domain of SARS-CoV-2 spike recognizes most emerging variants
To Be Published
7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
Descriptor: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:Longenecker, K.L, Korepanova, A, Qiu, W.
Deposit date:2021-10-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
3HWP
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BU of 3hwp by Molmil
Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens
Descriptor: CHLORIDE ION, NICKEL (II) ION, PhlG, ...
Authors:He, Y.-X, Huang, L, Xue, Y, Fei, X, Teng, Y.-B, Zhou, C.-Z.
Deposit date:2009-06-18
Release date:2009-12-15
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens.
J.Biol.Chem., 285, 2010
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-10-15
Release date:2009-08-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
4NQI
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BU of 4nqi by Molmil
Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein
Authors:Witte, G, Faix, J, Runge-Wollmann, P.
Deposit date:2013-11-25
Release date:2014-02-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
4P5Z
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BU of 4p5z by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Descriptor: 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-20
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4P5Q
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BU of 4p5q by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
Descriptor: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-19
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014

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