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8PZ8
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crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
1M8W
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CRYSTAL STRUCTURE OF THE PUMILIO-HOMOLOGY DOMAIN FROM HUMAN PUMILIO1 IN COMPLEX WITH NRE1-19 RNA
分子名称: 5'-R(P*UP*GP*UP*AP*UP*AP*U)-3', 5'-R(P*UP*GP*UP*CP*CP*AP*G)-3', 5'-R(P*UP*UP*GP*UP*AP*UP*AP*U)-3', ...
著者Wang, X, McLachlan, J, Zamore, P.D, Hall, T.M.T.
登録日2002-07-26
公開日2002-09-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献MODULAR RECOGNITION OF RNA BY A HUMAN PUMILIO-HOMOLOGY DOMAIN
CELL(CAMBRIDGE,MASS.), 110, 2002
8PZ6
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crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
1MFQ
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Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition Particle
分子名称: 7S RNA of human SRP, CHLORIDE ION, MAGNESIUM ION, ...
著者Kuglstatter, A, Oubridge, C, Nagai, K.
登録日2002-08-13
公開日2002-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Induced structural changes of 7SL RNA during the assembly of human signal recognition particle
Nat.Struct.Biol., 9, 2002
2ZBE
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Calcium pump crystal structure with bound BeF3 in the absence of calcium and TG
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
著者Toyoshima, C, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-12-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
1M5K
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Crystal structure of a hairpin ribozyme in the catalytically-active conformation
分子名称: CALCIUM ION, CHLORIDE ION, PROTEIN (U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A), ...
著者Rupert, P.B, Ferre-D'Amare, A.R.
登録日2002-07-09
公開日2002-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transition state stabilization by a catalytic RNA
Science, 298, 2002
8HHQ
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Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
分子名称: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Kojima, H, Itoh, T.
登録日2022-11-16
公開日2023-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
1NI3
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Structure of the Schizosaccharomyces pombe YchF GTPase
分子名称: SULFATE ION, YchF GTP-binding protein
著者Kniewel, R.K, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2002-12-20
公開日2003-01-07
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the S. pombe YchF GTP-binding protein
To be Published
8FPE
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Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP
分子名称: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
登録日2023-01-04
公開日2023-03-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
2XPJ
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Crystal structure of Physalis Mottle Virus with intact ordered RNA
分子名称: 5'-R(CP*CP*CP)-3', COAT PROTEIN
著者Sagurthi, S.R, Rajaram, V, Savithri, H.S, Murthy, M.R.N.
登録日2010-08-26
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure of Natural Bottom Component of Phmv
To be Published
6M37
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The crystal structure of B. subtilis RsbV/RsbW complex in the hexagonal crystal form
分子名称: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
著者Pathak, D, Kwon, E, Kim, D.Y.
登録日2020-03-02
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into the regulation of SigB activity by RsbV and RsbW.
Iucrj, 7, 2020
2QLZ
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BU of 2qlz by Molmil
Crystal Structure of Transcription Factor PF0095 from Pyrococcus furiosus
分子名称: Transcription Factor PF0095
著者Yang, H, Lipscomb, G.L, Scott, R.A, Rose, J.P, Wang, B.C.
登録日2007-07-13
公開日2008-07-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Transcription Factor PF0095 from Pyrococcus furiosus
To be Published
6M36
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The crystal structure of B. subtilis RsbV/RsbW complex in the monoclinic crystal form
分子名称: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
著者Pathak, D, Kwon, E, Kim, D.Y.
登録日2020-03-02
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insights into the regulation of SigB activity by RsbV and RsbW.
Iucrj, 7, 2020
1NJI
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BU of 1nji by Molmil
Structure of chloramphenicol bound to the 50S ribosomal subunit
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
著者Hansen, J.L, Moore, P.B, Steitz, T.A.
登録日2002-12-31
公開日2003-07-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
8H5B
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BU of 8h5b by Molmil
The cryo-EM structure of nuclear transport receptor Kap114p complex with yeast TATA-box binding protein
分子名称: Importin subunit beta-5, TATA-box-binding protein
著者Hsia, K.C, Liao, C.C, Wang, C.H, Wu, Y.M.
登録日2022-10-12
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (4.03 Å)
主引用文献Structural convergence endows nuclear transport receptor Kap114p with a transcriptional repressor function toward TATA-binding protein.
Nat Commun, 14, 2023
6SOD
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BU of 6sod by Molmil
Fragment N14056a in complex with MAP kinase p38-alpha
分子名称: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
3R00
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BU of 3r00 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1NXZ
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X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73.
分子名称: Hypothetical protein HI0303
著者Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2003-02-11
公開日2003-03-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot.
Proteins, 53, 2003
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
著者Gao, M, Cai, W, Chunwa, C.
登録日2017-11-01
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
6X02
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Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8
分子名称: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8
著者Nordeen, S.A, Schwartz, T.U.
登録日2020-05-15
公開日2020-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (6.38 Å)
主引用文献Yeast Nup84-Nup133 complex structure details flexibility and reveals conservation of the membrane anchoring ALPS motif.
Nat Commun, 11, 2020
6X03
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Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8 and VHH-SAN9
分子名称: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8, ...
著者Nordeen, S.A, Schwartz, T.U.
登録日2020-05-15
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (7.3 Å)
主引用文献Yeast Nup84-Nup133 complex structure details flexibility and reveals conservation of the membrane anchoring ALPS motif.
Nat Commun, 11, 2020
1NYR
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BU of 1nyr by Molmil
Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, THREONINE, ZINC ION, ...
著者Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D.
登録日2003-02-13
公開日2003-10-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase
J.Mol.Biol., 331, 2003
6XFV
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CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST
分子名称: 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2020-06-16
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6SOV
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BU of 6sov by Molmil
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha
分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-30
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1O03
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Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-phosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
著者Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
登録日2003-02-20
公開日2003-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003

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