6KDP
 
 | | Crystal structure of human DNMT3B-DNMT3L complex (II) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, FORMIC ACID, ... | | Authors: | Lin, C.-C, Chen, Y.-P, Yang, W.-Z, Shen, C.-K, Yuan, H.S. | | Deposit date: | 2019-07-02 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structural insights into CpG-specific DNA methylation by human DNA methyltransferase 3B.
Nucleic Acids Res., 48, 2020
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6KEK
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | Descriptor: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6K22
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6K72
 | | eIF2(aP) - eIF2B complex | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | | Authors: | Kashiwagi, K, Yokoyama, T, Ito, T. | | Deposit date: | 2019-06-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
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1OL6
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6KGK
 | | LSD1-CoREST-S2101 five-membered ring adduct model | | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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6K9M
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-16 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.
Eur.J.Med.Chem., 206, 2020
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6KG2
 | | Human MTHFD2 in complex with Compound 18 | | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
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6KGR
 | | LSD1-FCPA-MPE N5 adduct model | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
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6K25
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6K3A
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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6K71
 | | eIF2 - eIF2B complex | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | | Authors: | Kashiwagi, K, Yokoyama, T, Ito, T. | | Deposit date: | 2019-06-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for eIF2B inhibition in integrated stress response.
Science, 364, 2019
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1NMK
 | | The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data | | Descriptor: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Kallen, J, Sedrani, R, Wagner, J. | | Deposit date: | 2003-01-10 | | Release date: | 2003-04-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data
J.Am.Chem.Soc., 125, 2003
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1QBK
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1QVY
 | | Crystal structure of RhoGDI K(199,200)R double mutant | | Descriptor: | Rho GDP-dissociation inhibitor 1, SULFATE ION | | Authors: | Czepas, J, Devedjiev, Y, Krowarsh, D, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2003-08-29 | | Release date: | 2004-02-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The impact of Lys-->Arg surface mutations on the crystallization of the globular domain of RhoGDI.
Acta Crystallogr.,Sect.D, 60, 2004
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1PQC
 | | HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 | | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Oxysterols receptor LXR-beta | | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | | Deposit date: | 2003-06-18 | | Release date: | 2003-09-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands.
J.Biol.Chem., 278, 2003
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1Q8X
 | | NMR structure of human cofilin | | Descriptor: | Cofilin, non-muscle isoform | | Authors: | Pope, B.J, Zierler-Gould, K.M, Kuhne, R, Weeds, A.G, Ball, L.J. | | Deposit date: | 2003-08-22 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human cofilin: rationalizing actin binding and pH sensitivity
J.Biol.Chem., 279, 2004
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1QRD
 | | QUINONE REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE COMPLEX | | Descriptor: | CIBACRON BLUE, DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Li, R, Bianchet, M.A, Talalay, P, Amzel, L.M. | | Deposit date: | 1995-07-28 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure of NAD(P)H:quinone reductase, a flavoprotein involved in cancer chemoprotection and chemotherapy: mechanism of the two-electron reduction.
Proc.Natl.Acad.Sci.USA, 92, 1995
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1QG4
 | | CANINE GDP-RAN F72Y MUTANT | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (RAN) | | Authors: | Kent, H.M, Moore, M.S, Quimby, B.B, Baker, A.M.E, McCoy, A.J, Murphy, G.A, Corbett, A.H, Stewart, M. | | Deposit date: | 1999-04-20 | | Release date: | 1999-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered mutants in the switch II loop of Ran define the contribution made by key residues to the interaction with nuclear transport factor 2 (NTF2) and the role of this interaction in nuclear protein import.
J.Mol.Biol., 289, 1999
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1RI0
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1RMH
 | | RECOMBINANT CYCLOPHILIN A FROM HUMAN T CELL | | Descriptor: | AAPF PEPTIDE SUBSTRATE, CYCLOPHILIN A | | Authors: | Zhao, Y, Ke, H. | | Deposit date: | 1995-07-31 | | Release date: | 1996-10-14 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure implies that cyclophilin predominantly catalyzes the trans to cis isomerization.
Biochemistry, 35, 1996
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1Q2Z
 | | The 3D solution structure of the C-terminal region of Ku86 | | Descriptor: | ATP-dependent DNA helicase II, 80 kDa subunit | | Authors: | Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C. | | Deposit date: | 2003-07-28 | | Release date: | 2004-01-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR)
J.Mol.Biol., 335, 2004
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1PQ6
 | | HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX | | Descriptor: | ISOPROPYL ALCOHOL, Oxysterols receptor LXR-beta, [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid | | Authors: | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | | Deposit date: | 2003-06-18 | | Release date: | 2003-09-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands.
J.Biol.Chem., 278, 2003
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1RTS
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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