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1D39
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COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2
分子名称: COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION
著者Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S.
登録日1991-05-07
公開日1992-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
6O59
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Crystal structure of the N-terminal domain of the A subunit of the Bacillus megaterium spore germinant receptor GerK3
分子名称: Germination protein
著者Li, Y, Hao, B.
登録日2019-03-01
公開日2019-05-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and functional analyses of the N-terminal domain of the A subunit of aBacillus megateriumspore germinant receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
1D19
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BU of 1d19 by Molmil
SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA OCTAMERS USING NUCLEAR MAGNETIC RESONANCE, RESTRAINED MOLECULAR DYNAMICS AND NOE-BASED REFINEMENT
分子名称: DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3')
著者Baleja, J.D, Sykes, B.D.
登録日1990-08-01
公開日1991-07-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution conformation of purine-pyrimidine DNA octamers using nuclear magnetic resonance, restrained molecular dynamics and NOE-based refinement.
J.Mol.Biol., 215, 1990
6IAH
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BU of 6iah by Molmil
Phosphatase Tt82 from Thermococcus thioreducens
分子名称: CHLORIDE ION, Hydrolase, MAGNESIUM ION
著者Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K.
登録日2018-11-26
公開日2019-08-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity.
Acta Crystallogr D Struct Biol, 75, 2019
1CQT
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX CONTAINING AN OCA-B PEPTIDE, THE OCT-1 POU DOMAIN, AND AN OCTAMER ELEMENT
分子名称: DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), POU DOMAIN, ...
著者Chasman, D.I, Cepek, K, Sharp, P.A, Pabo, C.O.
登録日1999-08-11
公開日1999-11-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of an OCA-B peptide bound to an Oct-1 POU domain/octamer DNA complex: specific recognition of a protein-DNA interface.
Genes Dev., 13, 1999
6U2M
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BU of 6u2m by Molmil
Crystal structure of a HaloTag-based calcium indicator, HaloCaMP V2, bound to JF635
分子名称: (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium, CALCIUM ION, CHLORIDE ION, ...
著者Deo, C, Schreiter, E.R.
登録日2019-08-20
公開日2020-09-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
6UJX
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HIV-1 wild-type reverse transcriptase-DNA complex with (-)-FTC-TP
分子名称: DNA primer, DNA template, MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.70451212 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
1D18
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BU of 1d18 by Molmil
SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA OCTAMERS USING NUCLEAR MAGNETIC RESONANCE, RESTRAINED MOLECULAR DYNAMICS AND NOE-BASED REFINEMENT
分子名称: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3')
著者Baleja, J.D, Sykes, B.D.
登録日1990-08-01
公開日1991-07-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution conformation of purine-pyrimidine DNA octamers using nuclear magnetic resonance, restrained molecular dynamics and NOE-based refinement.
J.Mol.Biol., 215, 1990
1CGF
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BU of 1cgf by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF
分子名称: CALCIUM ION, FIBROBLAST COLLAGENASE, ZINC ION
著者Lovejoy, B, Hassell, A.M, Luther, M.A, Weigl, D, Jordan, S.R.
登録日1994-02-03
公開日1995-03-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
8ABS
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BU of 8abs by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid
分子名称: (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ...
著者Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
登録日2022-07-04
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
8ABR
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BU of 8abr by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid
分子名称: Cytochrome P450, HEME B/C, HEXANOIC ACID, ...
著者Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
登録日2022-07-04
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
1XUT
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BU of 1xut by Molmil
Solution structure of TACI-CRD2
分子名称: Tumor necrosis factor receptor superfamily member 13B
著者Hymowitz, S.G, Patel, D.R, Wallweber, H.J, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
登録日2004-10-26
公開日2004-11-09
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structures of APRIL-receptor complexes: like BCMA, TACI employs only a single cysteine-rich domain for high affinity ligand binding.
J.Biol.Chem., 280, 2005
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6UJY
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BU of 6ujy by Molmil
HIV-1 wild-type reverse transcriptase-DNA complex with (-)-3TC-TP
分子名称: Lamivudine Triphosphate, MAGNESIUM ION, SULFATE ION, ...
著者Lansdon, E.B.
登録日2019-10-03
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.59456086 Å)
主引用文献Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
5JRD
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BU of 5jrd by Molmil
E. coli Hydrogenase-1 variant P508A
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A.
登録日2016-05-06
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase.
Biochemistry, 56, 2017
8U7E
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BU of 8u7e by Molmil
Structure of Sts-1 HP domain with rebamipide derivative
分子名称: N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B
著者Aziz, F, Dey, R, French, J.B.
登録日2023-09-15
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
7OL9
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BU of 7ol9 by Molmil
Crystal structure of C-terminally truncated Bacillus subtilis nucleoid occlusion protein (Noc) complexed to the Noc-binding site (NBS)
分子名称: DNA (5'-D(*TP*AP*TP*TP*TP*CP*CP*CP*GP*GP*GP*AP*AP*AP*TP*A)-3'), Nucleoid occlusion protein
著者Jalal, A.S.B, Lawson, D.M, Le, T.B.K.
登録日2021-05-19
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The CTP-binding domain is disengaged from the DNA-binding domain in a cocrystal structure of Bacillus subtilis Noc-DNA complex.
J.Biol.Chem., 299, 2023
8FM6
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BU of 8fm6 by Molmil
Dri1 hemoprotein variant H21A with a zinc-mirror heme site
分子名称: HEME B/C, Ssr1698 protein
著者Yee, E.F, Blaby-Haas, C.
登録日2022-12-22
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
8DVH
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BU of 8dvh by Molmil
Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA)
分子名称: Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION
著者Sekula, B, Li, M, Gustchina, A, Wlodawer, A.
登録日2022-07-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases.
Int J Mol Sci, 23, 2022
6UOE
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BU of 6uoe by Molmil
3-25 Fab germline-reversion variant bound to an HCMV gB-derived peptide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-25 Fab heavy chain, 3-25 Fab light chain, ...
著者Wrapp, D, McLellan, J.S.
登録日2019-10-14
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recognition of a highly conserved glycoprotein B epitope by a bivalent antibody neutralizing HCMV at a post-attachment step.
Plos Pathog., 16, 2020
6I3S
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BU of 6i3s by Molmil
Crystal structure of MDM2 in complex with compound 13.
分子名称: (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Bader, G, Kessler, D.
登録日2018-11-07
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
1DP7
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BU of 1dp7 by Molmil
COCRYSTAL STRUCTURE OF RFX-DBD IN COMPLEX WITH ITS COGNATE X-BOX BINDING SITE
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*GP*(BRU)P*TP*AP*CP*CP*AP*(BRU)P*GP*GP*TP*AP*AP*CP*G)-3'), ...
著者Gajiwala, K.S, Chen, H, Cornille, F, Roques, B.P, Reith, W, Mach, B, Burley, S.K.
登録日1999-12-23
公開日2000-03-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the winged-helix protein hRFX1 reveals a new mode of DNA binding.
Nature, 403, 2000
7P4R
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Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K
分子名称: ETHANOL, Ribonuclease pancreatic, SULFATE ION
著者Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
8BG0
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BU of 8bg0 by Molmil
Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40
分子名称: Amyloid-beta precursor protein
著者Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W.
登録日2022-10-27
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (1.99 Å)
主引用文献Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
8GCC
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BU of 8gcc by Molmil
T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1
分子名称: 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2
著者Schenk, A, Deniston, C, Noeske, J.
登録日2023-03-01
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections.
Science, 380, 2023

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