4JEQ
 
 | | Different Contribution of Conserved Amino Acids to the Global Properties of Homologous Enzymes | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | | Authors: | Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T. | | Deposit date: | 2013-02-27 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Different contribution of conserved amino acids to the global properties of triosephosphate isomerases.
Proteins, 82, 2014
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5L83
 | | Complex of potato ATG8 protein with a peptide from Irish potato famine pathogen effector protein PexRD54 | | Descriptor: | 1,2-ETHANEDIOL, ASP-TRP-GLU-ILE-VAL, Autophagy-related protein, ... | | Authors: | Maqbool, A, Hughes, R.K, Banfield, M.J. | | Deposit date: | 2016-06-06 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Host Autophagy-related Protein 8 (ATG8) Binding by the Irish Potato Famine Pathogen Effector Protein PexRD54.
J.Biol.Chem., 291, 2016
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6YT2
 | | Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI) | | Descriptor: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Iacovino, L.G, Reis, J, Mai, A, Mattevi, A, Binda, C. | | Deposit date: | 2020-04-23 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Diphenylene Iodonium Is a Noncovalent MAO Inhibitor: A Biochemical and Structural Analysis.
Chemmedchem, 15, 2020
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6U69
 | | Crystal structure of Yck2 from Candida albicans, apoenzyme | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
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6YWE
 | | The structure of the mitoribosome from Neurospora crassa in the P/E tRNA bound state | | Descriptor: | 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-29 | | Release date: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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4JFM
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate | | Descriptor: | 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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1E4H
 | | Structure of human transthyretin complexed with bromophenols: a new mode of binding | | Descriptor: | GLYCEROL, PENTABROMOPHENOL, TRANSTHYRETIN | | Authors: | Ghosh, M, Meerts, I.A.T.M, Cook, A, Bergman, A, Brouwer, A, Johnson, L.N. | | Deposit date: | 2000-07-04 | | Release date: | 2000-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
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4RFZ
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1SYI
 | | X-RAY STRUCTURE OF THE Y702F MUTANT OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 2.1 A RESOLUTION. | | Descriptor: | (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2 | | Authors: | Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S. | | Deposit date: | 2004-04-01 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
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6Z5C
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070
To Be Published
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4RG0
 | | Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile | | Descriptor: | 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile, Tyrosine-protein kinase BTK | | Authors: | Kuglstatter, A, Wong, A. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
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3A07
 | | Crystal Structure of Actinohivin; Potent anti-HIV Protein | | Descriptor: | Actinohivin, SODIUM ION | | Authors: | Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-08-25 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Mechanism by which the lectin actinohivin blocks HIV infection of target cells
Proc.Natl.Acad.Sci.USA, 106, 2009
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1E3O
 | | Crystal structure of Oct-1 POU dimer bound to MORE | | Descriptor: | 5'-D(*AP*TP*GP*CP*AP*TP*GP*AP*GP*GP*A)-3', 5'-D(*TP*CP*CP*TP*CP*AP*TP*GP*CP*AP*T)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Schoeler, H, Wilmanns, M. | | Deposit date: | 2000-06-20 | | Release date: | 2001-11-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
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5L3A
 | | Fragment-based discovery of 6-arylindazole JAK inhibitors | | Descriptor: | Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide | | Authors: | Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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6YWV
 | | The structure of the Atp25 bound assembly intermediate of the mitoribosome from Neurospora crassa | | Descriptor: | 23 S rRNA, 50S ribosomal protein L14, 50S ribosomal protein L17, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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5VET
 | | PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE | | Descriptor: | Phospholipase A2 VRV-PL-VIIIa | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2018-06-20 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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6Z4Z
 | | Crystal structure of CLK1 in complex with macrocycle ODS2004070 | | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of CLK1 in complex with macrocycle ODS2004070
To Be Published
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6Z5D
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082
To Be Published
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4G65
 | | Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus | | Descriptor: | CHLORIDE ION, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus.
To be Published
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6YW5
 | | The structure of the small subunit of the mitoribosome from Neurospora crassa | | Descriptor: | 16S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Amunts, A, Itoh, Y, Naschberger, A. | | Deposit date: | 2020-04-29 | | Release date: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
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8P97
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5LAW
 | | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | | Descriptor: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Kessler, D, Gollner, A. | | Deposit date: | 2016-06-15 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
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5LAZ
 | | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252 | | Descriptor: | 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... | | Authors: | Kessler, D, Gollner, A. | | Deposit date: | 2016-06-15 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
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6Z2K
 | | The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex | | Descriptor: | Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-05-16 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
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8ORM
 | | Cryo-EM structure of CAK-THZ1 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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