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PDB: 42836 件

6UJH
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Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
1M6O
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Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide
分子名称: Beta-2-microglobulin, HLA DPA*0201 peptide, HLA class I histocompatibility antigen, ...
著者Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N.A, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J.
登録日2002-07-17
公開日2003-09-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
J.Exp.Med., 198, 2003
3CE7
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Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
分子名称: Specific mitochondrial acyl carrier protein
著者Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-02-28
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
3CAF
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BU of 3caf by Molmil
Crystal Structure of hFGFR2 D2 Domain
分子名称: Fibroblast growth factor receptor 2
著者Guo, F, Dakshinamurthy, R, Kathir, K.M, Thallapuranam, S.K.K, Sakon, J.
登録日2008-02-19
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure analysis of the hFGFR2 D2 domain
To be Published
3BLM
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REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM STAPHYLOCOCCUS AUREUS PC1 AT 2.0
分子名称: BETA-LACTAMASE
著者Herzberg, O, Moult, J.
登録日1990-12-03
公開日1991-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined crystal structure of beta-lactamase from Staphylococcus aureus PC1 at 2.0 A resolution.
J.Mol.Biol., 217, 1991
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
1M7X
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BU of 1m7x by Molmil
The X-ray Crystallographic Structure of Branching Enzyme
分子名称: 1,4-alpha-glucan Branching Enzyme
著者Abad, M.C, Binderup, K, Rios-Steiner, J, Arni, R.K, Preiss, J, Geiger, J.H.
登録日2002-07-23
公開日2002-09-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray crystallographic structure of Escherichia coli branching enzyme
J.Biol.Chem., 277, 2002
6UJJ
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Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-09-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
1M6N
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BU of 1m6n by Molmil
Crystal structure of the SecA translocation ATPase from Bacillus subtilis
分子名称: Preprotein translocase secA, SULFATE ION
著者Hunt, J.F, Weinkauf, S, Henry, L, Fak, J.J, McNicholas, P, Oliver, D.B, Deisenhofer, J.
登録日2002-07-16
公開日2002-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nucleotide Control of Interdomain Interactions in the Conformational Reaction Cycle of SecA
Science, 297, 2002
1MQB
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BU of 1mqb by Molmil
Crystal Structure of Ephrin A2 (ephA2) Receptor Protein Kinase
分子名称: Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N, Rogers, J, Sang, B.C, Scheibe, D.N, Swanson, R.V, Thompson, D.A.
登録日2002-09-16
公開日2003-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the Cancer Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography
Structure, 10, 2003
1MIO
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BU of 1mio by Molmil
X-RAY CRYSTAL STRUCTURE OF THE NITROGENASE MOLYBDENUM-IRON PROTEIN FROM CLOSTRIDIUM PASTEURIANUM AT 3.0 ANGSTROMS RESOLUTION
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE-MO-S CLUSTER, ...
著者Kim, J, Woo, D, Rees, D.C.
登録日1993-03-24
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray crystal structure of the nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 3.0-A resolution.
Biochemistry, 32, 1993
6TV5
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BU of 6tv5 by Molmil
NMR structure of N-terminal domain from A. argentata tubuliform spidroin (TuSp) at pH 5.5
分子名称: Tubuliform spidroin 1
著者Fridmanis, J, Jaudzems, K.
登録日2020-01-09
公開日2021-01-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of Tubuliform Spidroin N-Terminal Domain and Implications for pH Dependent Dimerization.
Front Mol Biosci, 9, 2022
6U4M
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BU of 6u4m by Molmil
Solution structure of paxillin LIM4
分子名称: Paxillin, ZINC ION
著者Zhu, L, Qin, J.
登録日2019-08-26
公開日2019-10-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis of Paxillin Recruitment by Kindlin-2 in Regulating Cell Adhesion.
Structure, 27, 2019
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
分子名称: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Fesik, S.W.
登録日2019-12-13
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
9EOR
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BU of 9eor by Molmil
SARS-CoV2 major protease in complex with a covalent inhibitor SLL12.
分子名称: 3C-like proteinase nsp5, Inhibitor SLL12, POTASSIUM ION
著者Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
登録日2024-03-15
公開日2024-09-04
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
7NRP
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BU of 7nrp by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG
分子名称: CACODYLATE ION, DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-03-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
6OF8
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BU of 6of8 by Molmil
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CamKII-alpha hub domain
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, POTASSIUM ION
著者McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J.
登録日2019-03-28
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Variation in assembly stoichiometry in non-metazoan homologs of the hub domain of Ca2+/calmodulin-dependent protein kinase II.
Protein Sci., 28, 2019
8ZF1
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BU of 8zf1 by Molmil
Crystal structure of a Chemo Triplet Photoenzyme (CTPe)
分子名称: N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family
著者Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R.
登録日2024-05-07
公開日2024-07-17
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells.
J.Am.Chem.Soc., 146, 2024
9EO6
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BU of 9eo6 by Molmil
SARS-CoV2 major protease in complex with a covalent inhibitor SLL11.
分子名称: 3C-like proteinase nsp5, Inhibitor SLL11, POTASSIUM ION
著者Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D.
登録日2024-03-14
公開日2024-09-04
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries.
Antimicrob.Agents Chemother., 2024
5DR3
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Endothiapepsin in complex with fragment 333
分子名称: 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6ONT
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Structure of the Francisella response regulator 1452 receiver domain
分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Milton, M.E, Cavanagh, J.
登録日2019-04-22
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Francisella novicidaTwo-Component System Response Regulator BfpR Modulates iglC Gene Expression, Antimicrobial Peptide Resistance, and Biofilm Production.
Front Cell Infect Microbiol, 10, 2020
3SUP
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BU of 3sup by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (GC rich sequence)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', ...
著者Xia, S, Konigsberg, W.H, Wang, J.
登録日2011-07-11
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
3SVG
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BU of 3svg by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
TO BE PUBLISHED
6OT3
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RF2 accommodated state bound Release complex 70S at 24 ms
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
登録日2019-05-02
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019

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件を2024-10-09に公開中

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