5CMP
 
 | | human FLRT3 LRR domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat transmembrane protein FLRT3 | | Authors: | Lu, Y, Salzman, G, Arac, D. | | Deposit date: | 2015-07-17 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion.
Structure, 23, 2015
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5CCC
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6UPZ
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 3 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2019-10-18 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5BWL
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6LHJ
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH | | Descriptor: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2019-12-09 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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5BX6
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6YEZ
 | | Plant PSI-ferredoxin-plastocyanin supercomplex | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | | Deposit date: | 2020-03-25 | | Release date: | 2020-09-30 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
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4ML3
 | | X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae | | Descriptor: | Response regulator | | Authors: | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | | Deposit date: | 2013-09-06 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
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2UX8
 | | Crystal Structure of Sphingomonas elodea ATCC 31461 Glucose-1- phosphate uridylyltransferase in Complex with glucose-1-phosphate. | | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE | | Authors: | Aragao, D, Fialho, A.M, Marques, A.R, Frazao, C, Sa-Correia, I, Mitchell, E.P. | | Deposit date: | 2007-03-27 | | Release date: | 2007-05-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members.
J.Bacteriol., 189, 2007
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5CFT
 | | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2015-07-08 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
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1ORK
 | | TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | | Descriptor: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | | Authors: | Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W. | | Deposit date: | 1998-05-21 | | Release date: | 1999-06-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline.
J.Mol.Biol., 285, 1999
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5BZZ
 | | Crystal structure of human phosphatase PTEN in its reduced state | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1OJY
 | | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK2
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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2UYT
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6V7B
 | | Cryo-EM reconstruction of Pyrobaculum filamentous virus 2 (PFV2) | | Descriptor: | A-DNA, Structural protein VP1, Structural protein VP2 | | Authors: | Wang, F, Baquero, D.P, Su, Z, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2019-12-08 | | Release date: | 2020-04-01 | | Last modified: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of a filamentous virus uncovers familial ties within the archaeal virosphere.
Virus Evol, 6, 2020
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6YKE
 | | Crystal structure of YTHDC1 with compound DHU_DC1_038 | | Descriptor: | (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YL0
 | | Crystal structure of YTHDC1 with compound T_96 | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1, ... | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of YTHDC1 with compound T_96
To Be Published
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6YL9
 | | Crystal structure of YTHDC1 with compound DHU_DC1_085 | | Descriptor: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5CLS
 | | Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a | | Descriptor: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Janowski, R, Miller, A.K, Niessing, D. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-13 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
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6L34
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1OJV
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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6YKZ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_234 | | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | Descriptor: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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