3CPA
 
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1ALC
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5CRO
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1LMB
 | | REFINED 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE LAMBDA REPRESSOR-OPERATOR COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*CP*CP*AP*CP*TP*GP*GP*CP*GP*GP*TP*GP*A P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*TP*CP*AP*CP*CP*GP*CP*CP*AP*GP*TP*GP*G P*TP*AP*T)-3'), PROTEIN (LAMBDA REPRESSOR) | | Authors: | Beamer, L.J, Pabo, C.O. | | Deposit date: | 1991-11-05 | | Release date: | 1991-11-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined 1.8 A crystal structure of the lambda repressor-operator complex.
J.Mol.Biol., 227, 1992
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5CPA
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1PFT
 | | N-TERMINAL DOMAIN OF TFIIB, NMR | | Descriptor: | TFIIB, ZINC ION | | Authors: | Zhu, W, Zeng, Q, Colangelo, C.M, Lewis, L.M, Summers, M.F, Scott, R.A. | | Deposit date: | 1996-03-27 | | Release date: | 1996-08-17 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The N-terminal domain of TFIIB from Pyrococcus furiosus forms a zinc ribbon.
Nat.Struct.Biol., 3, 1996
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5HLN
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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5HLP
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | | Descriptor: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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8U1D
 | | Cryo-EM structure of vaccine-elicited CD4 binding site antibody DH1285 bound to HIV-1 CH505TFchim.6R.SOSIP.664v4.1 Env Local Refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1285 Heavy Chain, DH1285 Light Chain, ... | | Authors: | Thakur, B, Stalls, V.D, Acharya, P. | | Deposit date: | 2023-08-31 | | Release date: | 2024-01-03 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Vaccine induction of CD4-mimicking HIV-1 broadly neutralizing antibody precursors in macaques.
Cell, 187, 2024
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7RJ8
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Pokross, M, Muckelbauer, J. | | Deposit date: | 2021-07-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
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7RJ6
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Muckelbauer, J. | | Deposit date: | 2021-07-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.132 Å) | | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
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7RJ7
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6CPA
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6O49
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6O4A
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3MNR
 | | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | | Descriptor: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
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7CPA
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7LVH
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | | Descriptor: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2021-02-25 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
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1F6R
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1F6S
 | | CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Chrysina, E.D, Brew, K, Acharya, K.R. | | Deposit date: | 2000-06-23 | | Release date: | 2000-12-13 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
J.Biol.Chem., 275, 2000
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7LVI
 | | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | | Descriptor: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2021-02-25 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
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4ARN
 | | Crystal structure of the N-terminal domain of Drosophila Toll receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | | Authors: | Gangloff, M, Gay, N.J. | | Deposit date: | 2012-04-25 | | Release date: | 2013-01-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional Insights from the Crystal Structure of the N-Terminal Domain of the Prototypical Toll Receptor.
Structure, 21, 2013
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3G3M
 | | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Covalently Modified by 5-fluoro-6-iodo-UMP | | Descriptor: | 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase | | Authors: | Liu, Y, Tang, H.L, Bello, A.M, Poduch, E, Kotra, L.P, Pai, E.F. | | Deposit date: | 2009-02-02 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents.
J.Med.Chem., 52, 2009
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3G3D
 | | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Covalently Modified by 5-fluoro-6-azido-UMP | | Descriptor: | 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | | Authors: | Liu, Y, Tang, H.L, Bello, A, Poduch, E, Kotra, L, Pai, E. | | Deposit date: | 2009-02-02 | | Release date: | 2009-03-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents.
J.Med.Chem., 52, 2009
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2PAF
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