5G13
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![BU of 5g13 by Molmil](/molmil-images/mine/5g13) | |
5G1A
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![BU of 5g1a by Molmil](/molmil-images/mine/5g1a) | Bordetella Alcaligenes HDAH bound to PFSAHA | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-24 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket. Biochim. Biophys. Acta, 1861, 2017
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5G11
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![BU of 5g11 by Molmil](/molmil-images/mine/5g11) | Pseudomonas aeruginosa HDAH bound to PFSAHA. | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, HDAH, POTASSIUM ION, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa. Biochemistry, 55, 2016
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5G10
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![BU of 5g10 by Molmil](/molmil-images/mine/5g10) | Pseudomonas aeruginosa HDAH bound to 9,9,9 trifluoro-8,8-dihydroy-N-phenylnonanamide | Descriptor: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HDAH, POTASSIUM ION, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa. Biochemistry, 55, 2016
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5G0Y
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![BU of 5g0y by Molmil](/molmil-images/mine/5g0y) | |
5G3W
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![BU of 5g3w by Molmil](/molmil-images/mine/5g3w) | Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65 | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-05-02 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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5G1C
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![BU of 5g1c by Molmil](/molmil-images/mine/5g1c) | Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395 | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-24 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors. ACS Infect Dis, 3, 2017
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8BGC
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![BU of 8bgc by Molmil](/molmil-images/mine/8bgc) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Acs Med.Chem.Lett., 14, 2023
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6GMG
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![BU of 6gmg by Molmil](/molmil-images/mine/6gmg) | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase | Descriptor: | CITRATE ANION, DI(HYDROXYETHYL)ETHER, PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE, ... | Authors: | Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A. | Deposit date: | 2018-05-25 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase. FEBS J., 285, 2018
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6ZS3
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![BU of 6zs3 by Molmil](/molmil-images/mine/6zs3) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1 | Authors: | Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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6ZS4
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![BU of 6zs4 by Molmil](/molmil-images/mine/6zs4) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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6ZS2
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![BU of 6zs2 by Molmil](/molmil-images/mine/6zs2) | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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2M09
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![BU of 2m09 by Molmil](/molmil-images/mine/2m09) | Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition | Descriptor: | Splicing factor 1 | Authors: | Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A. | Deposit date: | 2012-10-22 | Release date: | 2013-01-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition. Nucleic Acids Res., 41, 2013
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2M0G
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![BU of 2m0g by Molmil](/molmil-images/mine/2m0g) | Structure, phosphorylation and U2AF65 binding of the Nterminal Domain of splicing factor 1 during 3 splice site Recognition | Descriptor: | Splicing factor 1, Splicing factor U2AF 65 kDa subunit | Authors: | Madl, T, Sattler, M, Zhang, Y, Bagdiul, I, Kern, T, Kang, H, Zou, P, Maeusbacher, N, Sieber, S.A, Kraemer, A. | Deposit date: | 2012-10-25 | Release date: | 2013-01-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition. Nucleic Acids Res., 41, 2013
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8BIO
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![BU of 8bio by Molmil](/molmil-images/mine/8bio) | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily. Eur.J.Med.Chem., 254, 2023
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8BIN
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![BU of 8bin by Molmil](/molmil-images/mine/8bin) | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily. Eur.J.Med.Chem., 254, 2023
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6SI4
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![BU of 6si4 by Molmil](/molmil-images/mine/6si4) | p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323 | Descriptor: | 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6SI0
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![BU of 6si0 by Molmil](/molmil-images/mine/6si0) | p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 | Descriptor: | 1,2-ETHANEDIOL, 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6SI1
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![BU of 6si1 by Molmil](/molmil-images/mine/6si1) | p53 cancer mutant Y220H | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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