4WMQ
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4WMY
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5MH1
| Crystal structure of a DM9 domain containing protein from Crassostrea gigas | Descriptor: | GLYCEROL, MAGNESIUM ION, Natterin-3, ... | Authors: | Weinert, T, Warkentin, E, Pang, G. | Deposit date: | 2016-11-22 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum. Front Immunol, 8, 2017
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5MH3
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3KVX
| JNK3 bound to aminopyrimidine inhibitor, SR-3562 | Descriptor: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | Deposit date: | 2009-11-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors J.Med.Chem., 53, 2010
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3S41
| Glucokinase in complex with activator and glucose | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2011-05-18 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus MEDCHEMCOMM, 2, 2011
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6B4U
| Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | Descriptor: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Judge, R.A, Souers, A.J. | Deposit date: | 2017-09-27 | Release date: | 2017-10-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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6B4L
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3UNP
| Structure of human SUN2 SUN domain | Descriptor: | ACETYL GROUP, SUN domain-containing protein 2 | Authors: | Zhou, Z.C, Greene, M.I. | Deposit date: | 2011-11-16 | Release date: | 2011-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Sad1-UNC84 homology (SUN) domain defines features of molecular bridge in nuclear envelope J.Biol.Chem., 287, 2012
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3VF6
| Glucokinase in complex with glucose and activator | Descriptor: | 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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3VEY
| glucokinase in complex with glucose and ATPgS | Descriptor: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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3VEV
| Glucokinase in complex with an activator and glucose | Descriptor: | (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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7YUL
| Crystal structure of human BEND6 BEN domain in complex with DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUG
| Structure of human BANP BEN domain | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUK
| Complex structure of BANP BEN domain bound to DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP | Authors: | Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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7YUN
| Crystal structure of human BEND6 BEN domain in complex with methylated DNA | Descriptor: | BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3') | Authors: | Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R. | Deposit date: | 2022-08-17 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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4DHY
| Crystal structure of human glucokinase in complex with glucose and activator | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-30 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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4DCH
| Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | Descriptor: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | Authors: | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | Deposit date: | 2012-01-17 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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2F7E
| PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ... | Authors: | Stoll, V.S. | Deposit date: | 2005-11-30 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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4TLL
| Crystal structure of GluN1/GluN2B NMDA receptor, structure 1 | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ... | Authors: | Gouaux, E, Lee, C.-H, Lu, W. | Deposit date: | 2014-05-30 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | NMDA receptor structures reveal subunit arrangement and pore architecture. Nature, 511, 2014
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4TLM
| Crystal structure of GluN1/GluN2B NMDA receptor, structure 2 | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ... | Authors: | Gouaux, E, Lee, C.-H, Lu, W. | Deposit date: | 2014-05-30 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | NMDA receptor structures reveal subunit arrangement and pore architecture. Nature, 511, 2014
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6V52
| IDO1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | Deposit date: | 2019-12-03 | Release date: | 2020-04-08 | Last modified: | 2020-04-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1). Acs Med.Chem.Lett., 11, 2020
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6VWC
| Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors | Descriptor: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Judge, R.A, Judd, A.S. | Deposit date: | 2020-02-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Acs Med.Chem.Lett., 11, 2020
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6WJY
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | Deposit date: | 2020-04-14 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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4LN0
| Crystal structure of the VGLL4-TEAD4 complex | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ... | Authors: | Wang, H, Shi, Z, Zhou, Z. | Deposit date: | 2013-07-11 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer. Cancer Cell, 25, 2014
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