2LT3
 
 | | Solution NMR structure of the C-terminal domain of CdnL from Myxococcus xanthus | | Descriptor: | Transcriptional regulator, CarD family | | Authors: | Mirassou, Y, Garcia-Moreno, D, Padmanabhan, S, Jimenez, M.A. | | Deposit date: | 2012-05-14 | | Release date: | 2013-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural Insights into RNA Polymerase Recognition and Essential Function of Myxococcus xanthus CdnL.
Plos One, 9, 2014
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1K76
 | | Solution Structure of the C-terminal Sem-5 SH3 Domain (Minimized Average Structure) | | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5 | | Authors: | Ferreon, J, Volk, D, Luxon, B, Gorenstein, D, Hilser, V. | | Deposit date: | 2001-10-18 | | Release date: | 2003-05-20 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble
of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
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1KFZ
 | | Solution Structure of C-terminal Sem-5 SH3 Domain (Ensemble of 16 Structures) | | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5 | | Authors: | Ferreon, J.C, Volk, D.E, Luxon, B.A, Gorenstein, D, Hilser, V.J. | | Deposit date: | 2001-11-24 | | Release date: | 2003-05-20 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble
of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
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1CXR
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7P8K
 | | Crystal structure of in planta processed AvrRps4 in complex with the WRKY domain of RRS1 | | Descriptor: | Avirulence protein,Avirulence protein, Disease resistance protein RRS1, ZINC ION | | Authors: | Mukhi, N, Brown, H, Gorenkin, D, Ding, P, Bentham, A.R, Jones, J.D.G, Banfield, M.J. | | Deposit date: | 2021-07-23 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Perception of structurally distinct effectors by the integrated WRKY domain of a plant immune receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4PP7
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | | Deposit date: | 2014-02-26 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
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1BCG
 | | SCORPION TOXIN BJXTR-IT | | Descriptor: | TOXIN BJXTR-IT | | Authors: | Oren, D, Froy, O, Amit, E, Kleinberger-Doron, N, Gurevitz, M, Shaanan, B. | | Deposit date: | 1998-04-29 | | Release date: | 1998-11-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An excitatory scorpion toxin with a distinctive feature: an additional alpha helix at the C terminus and its implications for interaction with insect sodium channels.
Structure, 6, 1998
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8F8W
 | | Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I | | Descriptor: | 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, Nb.X0, afucosylated IgG1 fragment | | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D. | | Deposit date: | 2022-11-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
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8F8X
 | | Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form II | | Descriptor: | 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, Nb.X0, Uncharacterized protein DKFZp686C11235 | | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D. | | Deposit date: | 2022-11-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
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5VQB
 | | Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complex with FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-05-08 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.391 Å) | | Cite: | Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action.
Cell Chem Biol, 25, 2018
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4E4X
 | | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
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5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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2LT4
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2LWJ
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2015-01-08 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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6BRD
 | | Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complexed with rifampin and FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-30 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action.
Cell Chem Biol, 25, 2018
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4G9R
 | | B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor | | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-07-24 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4G9C
 | | Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | | Descriptor: | 3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-07-23 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4AGW
 | | Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ... | | Authors: | Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D. | | Deposit date: | 2012-02-01 | | Release date: | 2012-02-15 | | Last modified: | 2021-04-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
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3SKC
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4EHG
 | | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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4EHE
 | | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | | Descriptor: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C. | | Deposit date: | 2012-04-02 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
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4K6A
 | | Revised Crystal Structure of apo-form of Triosephosphate Isomerase (tpiA) from Escherichia coli at 1.8 Angstrom Resolution. | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Minasov, G, Kuhn, M, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
PLoS ONE, 9, 2014
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4MVA
 | | 1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate. | | Descriptor: | 1,2-ETHANEDIOL, ACETYLPHOSPHATE, CHLORIDE ION, ... | | Authors: | Minasov, G, Kuhn, M.L, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-23 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014
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