5HDZ
 
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7R0Q
 | | KRasG12C in complex with GDP and compound 3 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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5JIZ
 | | PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | | Authors: | Campbell, J.C, Kim, C.W. | | Deposit date: | 2016-04-22 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
To Be Published
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7R0M
 | | KRasG12C in complex with GDP and JDQ443 | | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-02-02 | | Release date: | 2022-04-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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8RNV
 | | Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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5HKM
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-14 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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8RNX
 | | Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)] | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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8QWZ
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | | Descriptor: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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5H9A
 | | Crystal structure of the Apo form of human cellular retinol binding protein 1 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | | Deposit date: | 2015-12-26 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.381 Å) | | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
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8R4Q
 | | Salt inducible kinase 3 in complex with inhibitor | | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.838 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8R4V
 | | Structure of Salt-inducible kinase 3 in complex with inhibitor | | Descriptor: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea, Serine/threonine-protein kinase SIK3 | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8RT2
 | | Hen Egg White Lysozyme Crystallized with Bioassembler on Earth | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | MacCarthy, C, Koudan, E.V, Petrov, S.V, Levin, A.A, Khesuani, Y.D, Borshchevskiy, V. | | Deposit date: | 2024-01-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Hen Egg White Lysozyme Crystallized with Bioassembler on Earth
To Be Published
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8RT3
 | | Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | MacCarthy, C, Koudan, E.V, Petrov, S.V, Levin, A.A, Khesuani, Y.D, Borshchevskiy, V. | | Deposit date: | 2024-01-25 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions
To Be Published
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8DMY
 | | Cryo-EM structure of cardiac muscle alpha-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-09 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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5H8G
 | | Crystal structure of CK2 with compound 7b | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2015-12-23 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
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5JL7
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5HD0
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5HDU
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8S1K
 | | Crystal Structure of human FABP4 in complex with 2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline | | Descriptor: | (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst-Sander, U, Rudolph, M.G. | | Deposit date: | 2024-02-15 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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8DNF
 | | Cryo-EM structure of nonmuscle gamma-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-11 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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8DMX
 | | Cryo-EM structure of skeletal muscle alpha-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-08 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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8R4O
 | | Salt inducible kinase 3 in complex with inhibitor | | Descriptor: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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5JLG
 | | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand | | Descriptor: | DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2016-04-27 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand.
Dalton Trans, 45, 2016
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8DNH
 | | Cryo-EM structure of nonmuscle beta-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-11 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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7R8U
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