3UOD
 
 | | Aurora A in complex with RPM1693 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ... | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UP2
 | | Aurora A in complex with RPM1686 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3001 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UO6
 | | Aurora A in complex with YL5-083 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOJ
 | | Aurora A in complex with RPM1715 | | Descriptor: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9003 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UNK
 | | CDK2 in complex with inhibitor YL5-083 | | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | | Deposit date: | 2011-11-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UNZ
 | | Aurora A in Complex with RPM1679 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOH
 | | Aurora A in complex with RPM1722 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOK
 | | Aurora A in complex with YL5-81-1 | | Descriptor: | 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9506 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3V5V
 | | UNLIGANDED E.CLOACAE C115D MURA | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | Deposit date: | 2011-12-16 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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3UOL
 | | Aurora A in complex with SO2-162 | | Descriptor: | 1,2-ETHANEDIOL, Aurora kinase A, N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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1X8R
 | | EPSPS liganded with the (S)-phosphonate analog of the tetrahedral reaction intermediate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | Authors: | Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E. | | Deposit date: | 2004-08-18 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
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1YBG
 | | MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid | | Descriptor: | N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Eschenburg, S, Priestman, M.A, Abdul-Latif, F.A, Delachaume, C, Fassy, F, Schonbrunn, E. | | Deposit date: | 2004-12-20 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Novel Inhibitor That Suspends the Induced Fit Mechanism of UDP-N-acetylglucosamine Enolpyruvyl Transferase (MurA).
J.Biol.Chem., 280, 2005
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1ZCM
 | | Human calpain protease core inhibited by ZLLYCH2F | | Descriptor: | CALCIUM ION, Calpain 1, large [catalytic] subunit, ... | | Authors: | Li, Q, Hanzlik, R.P, Weaver, R.F, Schonbrunn, E. | | Deposit date: | 2005-04-12 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular mode of action of a covalently inhibiting peptidomimetic on the human calpain protease core
Biochemistry, 45, 2006
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1K1H
 | | HETERODUPLEX OF CHIRALLY PURE METHYLPHOSPHONATE/DNA DUPLEX | | Descriptor: | 5'-D(*CP*(CMR)P*(RMP)P*(RMP)P*(SMP)P*(CMR)P*(RMP))-3', 5'-D(*TP*GP*TP*TP*TP*GP*GP*C)-3' | | Authors: | Thiviyanathan, V, Vyazovkina, K.V, Gozansky, E.K, Bichenchova, E, Abramova, T.V, Luxon, B.A, Lebedev, A.V, Gorenstein, D.G. | | Deposit date: | 2001-09-25 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of hybrid backbone methylphosphonate DNA heteroduplexes: effect of R and S stereochemistry.
Biochemistry, 41, 2002
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4KCX
 | | BRDT in complex with Dinaciclib | | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain testis-specific protein, CHLORIDE ION | | Authors: | Martin, M.P, Schonbrunn, E. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
Acs Chem.Biol., 8, 2013
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2AA9
 | | EPSP synthase liganded with shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID | | Authors: | Priestman, M.A, Healy, M.L, Funke, T, Becker, A, Schonbrunn, E. | | Deposit date: | 2005-07-13 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular basis for the glyphosate-insensitivity of the reaction of 5-enolpyruvylshikimate 3-phosphate synthase with shikimate.
Febs Lett., 579, 2005
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4KD1
 | | CDK2 in complex with Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2 | | Authors: | Martin, M.P, Schonbrunn, E. | | Deposit date: | 2013-04-24 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cyclin-dependent kinase inhibitor dinaciclib interacts with the acetyl-lysine recognition site of bromodomains.
Acs Chem.Biol., 8, 2013
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1X8T
 | | EPSPS liganded with the (R)-phosphonate analog of the tetrahedral reaction intermediate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | Authors: | Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E. | | Deposit date: | 2004-08-18 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
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1MI4
 | | Glyphosate insensitive G96A mutant EPSP synthase liganded with shikimate-3-phosphate | | Descriptor: | 5-enolpyruvylshikimate-3-phosphate synthase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Eschenburg, S, Healy, M.L, Priestman, M.A, Lushington, G.H, Schonbrunn, E. | | Deposit date: | 2002-08-21 | | Release date: | 2002-12-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | How the mutation glycine96 to alanine confers glyphosate insensitivity to 5-enolpyruvyl
shikimate-3-phosphate synthase from Escherichia coli.
PLANTA, 216, 2002
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3V01
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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1Q3G
 | | MurA (Asp305Ala) liganded with tetrahedral reaction intermediate | | Descriptor: | 1,2-ETHANEDIOL, 3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E. | | Deposit date: | 2003-07-29 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
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1Q36
 | | EPSP synthase (Asp313Ala) liganded with tetrahedral reaction intermediate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID, FORMIC ACID | | Authors: | Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E. | | Deposit date: | 2003-07-28 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States.
J.Biol.Chem., 278, 2003
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8U4E
 | | Cryo-EM structure of long form insulin receptor (IR-B) with three IGF2 bound, asymmetric conformation. | | Descriptor: | Insulin receptor, Insulin-like growth factor II | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2023-09-10 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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8U4B
 | | Cryo-EM structure of long form insulin receptor (IR-B) in the apo state | | Descriptor: | Insulin receptor | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2023-09-10 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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8VJC
 | | Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation. | | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2024-01-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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