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PDB: 22297 件

6KP7
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Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12154
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-14
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6UIN
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Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.-H.
登録日2019-10-01
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.348 Å)
主引用文献Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
6UKO
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Structure analysis of full-length mouse bcs1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
著者Xia, D, Esser, L.
登録日2019-10-05
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
5AQN
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
6XKU
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R. capsulatus cyt bc1 with one FeS protein in b position and one in c position (CIII2 b-c)
分子名称: Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
6XKZ
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R. capsulatus CIII2CIV tripartite super-complex, conformation B (SC-1B)
分子名称: COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
1N9W
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BU of 1n9w by Molmil
Crystal structure of the non-discriminating and archaeal-type aspartyl-tRNA synthetase from Thermus thermophilus
分子名称: aspartyl-tRNA synthetase 2
著者Charron, C, Roy, H, Blaise, M, Giege, R, Kern, D.
登録日2002-11-26
公開日2003-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Non-discriminating and discriminating aspartyl-tRNA synthetases differ in the anticodon-binding domain
EMBO J., 22, 2003
6TXW
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V30G Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
登録日2020-01-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.153 Å)
主引用文献Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
6XLX
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BU of 6xlx by Molmil
Crystal structure of cancer-associated G301D mutant of U2AF65 bound to AdML splice site
分子名称: DNA/RNA (5'-R(P*UP*UP*(UD)P*UP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
著者Maji, D, Jenkins, J.L, Kielkopf, C.L.
登録日2020-06-29
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Representative cancer-associated U2AF2 mutations alter RNA interactions and splicing.
J.Biol.Chem., 295, 2020
6U1Z
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Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5005 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AWS
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BU of 5aws by Molmil
Crystal structure of the SGIP1 mu homology domain in the P1 space group
分子名称: SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
著者Shimada, A, Yamaguchi, A, Kohda, D.
登録日2015-07-08
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
6U2F
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PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-19
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
5AQU
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BU of 5aqu by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
6L02
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BU of 6l02 by Molmil
Crystal Structure of sfYFP66BPAC203Y
分子名称: Yellow fluorescent protein
著者Zheng, D, Yu, L.-J, Liu, X, Wang, J.
登録日2019-09-25
公開日2021-01-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Ultrafast Photoinduced Electron Transfer in a Photosensitizer Protein
CCS Chem, 3, 2021
6KP2
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Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042
分子名称: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-14
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
5AQO
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BU of 5aqo by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQG
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
2RHH
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BU of 2rhh by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ with Bound Sulfate Ion
分子名称: Cell Division Protein ftsZ, SULFATE ION
著者Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-10-09
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
6UCD
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BU of 6ucd by Molmil
The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
分子名称: Exotoxin
著者Patel, D, Young, P.G, Bunker, R.D, Baker, E.N, Fraser, J.D.
登録日2019-09-16
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
To Be Published
5B3I
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BU of 5b3i by Molmil
Homo-dimeric structure of cytochrome c' from Thermophilic Hydrogenophilus thermoluteolus
分子名称: Cytochrome c prime, HEME C
著者Fujii, S, Oki, H, Kawahara, K, Yamane, D, Yamanaka, M, Maruno, T, Kobayashi, Y, Masanari, M, Wakai, S, Nishihara, H, Ohkubo, T, Sambongi, Y.
登録日2016-02-29
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and functional insights into thermally stable cytochrome c' from a thermophile
Protein Sci., 26, 2017
6UDW
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S2 symmetric peptide design number 3 crystal form 2, Lurch
分子名称: S2-3, Lurch crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UEN
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BU of 6uen by Molmil
Cryo-EM structure of the respiratory syncytial virus RNA polymerase
分子名称: RNA-directed RNA polymerase L, the phosphoprotein (P) of human respiratory syncytial virus
著者Cao, D, Gao, Y, Liang, B.
登録日2019-09-22
公開日2020-01-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Cryo-EM structure of the respiratory syncytial virus RNA polymerase.
Nat Commun, 11, 2020
4L7G
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BU of 4l7g by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)
分子名称: (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
5B60
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BU of 5b60 by Molmil
Crystal structure of PtLCIB4 S47R mutant, a homolog of the limiting CO2-inducible protein LCIB
分子名称: CHLORIDE ION, PtLCIB4 S47R mutant, ZINC ION
著者Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
登録日2016-05-24
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6UGB
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C3 symmetric peptide design number 2, Baby Basil
分子名称: C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020

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