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8PZ8
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crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54
Descriptor: (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
Authors:Rochel, N.
Deposit date:2023-07-27
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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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BU of 1m8w by Molmil
CRYSTAL STRUCTURE OF THE PUMILIO-HOMOLOGY DOMAIN FROM HUMAN PUMILIO1 IN COMPLEX WITH NRE1-19 RNA
Descriptor: 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', ...
Authors:Wang, X, McLachlan, J, Zamore, P.D, Hall, T.M.T.
Deposit date:2002-07-26
Release date:2002-09-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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
Authors:Rochel, N.
Deposit date:2023-07-27
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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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BU of 1mfq by Molmil
Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition Particle
Descriptor: 7S RNA of human SRP, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Kuglstatter, A, Oubridge, C, Nagai, K.
Deposit date:2002-08-13
Release date:2002-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Induced structural changes of 7SL RNA during the assembly of human signal recognition particle
Nat.Struct.Biol., 9, 2002
2ZBE
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BU of 2zbe by Molmil
Calcium pump crystal structure with bound BeF3 in the absence of calcium and TG
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Toyoshima, C, Ogawa, H, Norimatsu, Y.
Deposit date:2007-10-20
Release date:2007-12-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.8 Å)
Cite: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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BU of 1m5k by Molmil
Crystal structure of a hairpin ribozyme in the catalytically-active conformation
Descriptor: CALCIUM ION, CHLORIDE ION, PROTEIN (U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A), ...
Authors:Rupert, P.B, Ferre-D'Amare, A.R.
Deposit date:2002-07-09
Release date:2002-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transition state stabilization by a catalytic RNA
Science, 298, 2002
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
1NI3
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BU of 1ni3 by Molmil
Structure of the Schizosaccharomyces pombe YchF GTPase
Descriptor: SULFATE ION, YchF GTP-binding protein
Authors:Kniewel, R.K, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-12-20
Release date:2003-01-07
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the S. pombe YchF GTP-binding protein
To be Published
8FPE
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BU of 8fpe by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP
Descriptor: 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
Authors:Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
Deposit date:2023-01-04
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 2xpj by Molmil
Crystal structure of Physalis Mottle Virus with intact ordered RNA
Descriptor: 5'-R(CP*CP*CP)-3', COAT PROTEIN
Authors:Sagurthi, S.R, Rajaram, V, Savithri, H.S, Murthy, M.R.N.
Deposit date:2010-08-26
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of Natural Bottom Component of Phmv
To be Published
6M37
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BU of 6m37 by Molmil
The crystal structure of B. subtilis RsbV/RsbW complex in the hexagonal crystal form
Descriptor: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
Authors:Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2020-03-02
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: Transcription Factor PF0095
Authors:Yang, H, Lipscomb, G.L, Scott, R.A, Rose, J.P, Wang, B.C.
Deposit date:2007-07-13
Release date:2008-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Transcription Factor PF0095 from Pyrococcus furiosus
To be Published
6M36
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BU of 6m36 by Molmil
The crystal structure of B. subtilis RsbV/RsbW complex in the monoclinic crystal form
Descriptor: Anti-sigma-B factor antagonist, Serine-protein kinase RsbW
Authors:Pathak, D, Kwon, E, Kim, D.Y.
Deposit date:2020-03-02
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
Authors:Hansen, J.L, Moore, P.B, Steitz, T.A.
Deposit date:2002-12-31
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Importin subunit beta-5, TATA-box-binding protein
Authors:Hsia, K.C, Liao, C.C, Wang, C.H, Wu, Y.M.
Deposit date:2022-10-12
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite: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
Descriptor: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-29
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1NXZ
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BU of 1nxz by Molmil
X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73.
Descriptor: Hypothetical protein HI0303
Authors:Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-11
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Gao, M, Cai, W, Chunwa, C.
Deposit date:2017-11-01
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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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BU of 6x02 by Molmil
Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8
Descriptor: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (6.38 Å)
Cite: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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BU of 6x03 by Molmil
Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8 and VHH-SAN9
Descriptor: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8, ...
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (7.3 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, THREONINE, ZINC ION, ...
Authors:Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D.
Deposit date:2003-02-13
Release date:2003-10-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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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BU of 6xfv by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST
Descriptor: 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
Authors:Sack, J.S.
Deposit date:2020-06-16
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: (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, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-30
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite: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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BU of 1o03 by Molmil
Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-phosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003

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