4W4X
 
 | | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | Deposit date: | 2014-08-15 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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6KMH
 | | The crystal structure of CASK/Mint1 complex | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Li, W, Feng, W. | | Deposit date: | 2019-07-31 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
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6KCB
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6JWA
 | | Crystal structure of CK2a1 with 5-iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Casein kinase II subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-04-19 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1.
Acta Crystallogr.,Sect.F, 75, 2019
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6K2R
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6KKF
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6KAV
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6JXP
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6KH8
 | | Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9) | | Descriptor: | Insulin A Chain, Insulin B chain | | Authors: | Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R. | | Deposit date: | 2019-07-14 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-18 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
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4VGC
 | | GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | | Descriptor: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-05-01 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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4VHB
 | | THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | | Descriptor: | PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | | Deposit date: | 1999-03-11 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
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6K2X
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6K9I
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6K9J
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6KAP
 | | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-23 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAT
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KLL
 | | F-actin of cardiac thin filament in low-calcium state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oda, T, Yanagisawa, H, Wakabayashi, T. | | Deposit date: | 2019-07-30 | | Release date: | 2020-01-15 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
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9HVP
 | | Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease | | Descriptor: | HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate | | Authors: | Neidhart, D.J, Erickson, J. | | Deposit date: | 1990-11-06 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
Science, 249, 1990
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9INS
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9EWQ
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9EPX
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | | Descriptor: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
To Be Published
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9EQ0
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EPY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EPZ
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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