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5F8M
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BU of 5f8m by Molmil
Enterovirus 71 Polymerase Elongation Complex (C3S4/5 Form)
Descriptor: GLYCEROL, Genome polyprotein, MAGNESIUM ION, ...
Authors:Shu, B, Gong, P.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
2VT5
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BU of 2vt5 by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR
Descriptor: 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE, FRUCTOSE-1,6-BISPHOSPHATASE 1
Authors:Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T.
Deposit date:2008-05-09
Release date:2008-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites.
Bioorg.Med.Chem.Lett., 18, 2008
8K71
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BU of 8k71 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
2W97
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BU of 2w97 by Molmil
Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4 GAMMA 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, GLYCEROL, ...
Authors:Brown, C.J, Verma, C.S, Walkinshaw, M.D, Lane, D.P.
Deposit date:2009-01-22
Release date:2010-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystallization of eIF4E complexed with eIF4GI peptide and glycerol reveals distinct structural differences around the cap-binding site.
Cell Cycle, 8, 2009
8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
Descriptor: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
Descriptor: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
Deposit date:2023-07-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Descriptor: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
3S9S
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BU of 3s9s by Molmil
Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist
Descriptor: 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Lambert, M.H, Xu, R.X.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21, 2011
2VY6
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BU of 2vy6 by Molmil
Two domains from the C-terminal region of influenza A virus polymerase PB2 subunit
Descriptor: POLYMERASE BASIC PROTEIN 2
Authors:Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D.
Deposit date:2008-07-18
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit
Plos Pathog., 4, 2008
6SWS
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BU of 6sws by Molmil
The DBB dimerization domain of B-cell adaptor for PI3K (BCAP) is required for down regulation of inflammatory signalling through the Toll-like receptor pathway
Descriptor: Phosphoinositide 3-kinase adapter protein 1
Authors:Lauenstein, J.U, Scherm, M.J, Udgata, A, Moncrieffe, M.C, Fisher, D, Gay, N.J.
Deposit date:2019-09-23
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Negative Regulation of TLR Signaling by BCAP Requires Dimerization of Its DBB Domain.
J Immunol., 204, 2020
2VYT
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BU of 2vyt by Molmil
The MBT repeats of human SCML2 bind to peptides containing mono methylated lysine.
Descriptor: N-METHYL-LYSINE, SEX COMB ON MIDLEG-LIKE PROTEIN 2, TRIETHYLENE GLYCOL
Authors:Santiveri, C.M, Lechtenberg, B.C, Allen, M.D, Sathyamurthy, A, Jaulent, A.M, Freund, S.M.V, Bycroft, M.
Deposit date:2008-07-28
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Malignant Brain Tumor Repeats of Human Scml2 Bind to Peptides Containing Monomethylated Lysine.
J.Mol.Biol., 382, 2008
2W5Y
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BU of 2w5y by Molmil
Binary Complex of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine.
Descriptor: HISTONE-LYSINE N-METHYLTRANSFERASE HRX, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Southall, S.M, Wong, P.S, Odho, Z, Roe, S.M, WIlson, J.R.
Deposit date:2008-12-15
Release date:2009-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Requirement of Additional Factors for Mll1 Set Domain Activity and Recognition of Epigenetic Marks.
Mol.Cell, 33, 2009
1KVA
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BU of 1kva by Molmil
E. COLI RIBONUCLEASE HI D134A MUTANT
Descriptor: RIBONUCLEASE H
Authors:Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K.
Deposit date:1996-10-04
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
6RBD
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BU of 6rbd by Molmil
State 1 of yeast Tsr1-TAP Rps20-Deltaloop pre-40S particles
Descriptor: 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Shayan, R, Mitterer, V, Ferreira-Cerca, S, Murat, G, Enne, T, Rinaldi, D, Weigl, S, Omanic, H, Gleizes, P.E, Kressler, D, Pertschy, B, Plisson-Chastang, C.
Deposit date:2019-04-10
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Conformational proofreading of distant 40S ribosomal subunit maturation events by a long-range communication mechanism.
Nat Commun, 10, 2019
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
Descriptor: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
2WBD
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BU of 2wbd by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
Authors:Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E.
Deposit date:2009-02-26
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
5KCE
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BU of 5kce by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6RBE
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BU of 6rbe by Molmil
State 2 of yeast Tsr1-TAP Rps20-Deltaloop pre-40S particles
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Shayan, R, Mitterer, V, Ferreira-Cerca, S, Murat, G, Enne, T, Rinaldi, D, Weigl, S, Omanic, H, Gleizes, P.E, Kressler, D, Pertschy, B, Plisson-Chastang, C.
Deposit date:2019-04-10
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformational proofreading of distant 40S ribosomal subunit maturation events by a long-range communication mechanism.
Nat Commun, 10, 2019
4R7P
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BU of 4r7p by Molmil
Human UDP-glucose pyrophosphorylase isoform 1 in complex with UDP-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
Authors:Fuehring, J, Cramer, J.T, Schneider, J, Baruch, P, Gerardy-Schahn, R, Fedorov, R.
Deposit date:2014-08-28
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:A Quaternary Mechanism Enables the Complex Biological Functions of Octameric Human UDP-glucose Pyrophosphorylase, a Key Enzyme in Cell Metabolism.
Sci Rep, 5
6GU3
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BU of 6gu3 by Molmil
CDK1/CyclinB/Cks2 in complex with AZD5438
Descriptor: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
8KDB
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BU of 8kdb by Molmil
Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in dimeric form
Descriptor: MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ...
Authors:Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S.
Deposit date:2023-08-09
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
4Y65
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BU of 4y65 by Molmil
Crystal structure of E.coli CutA1 C16A/C39A/C79A mutation
Descriptor: Divalent-cation tolerance protein CutA
Authors:Tanaka, T, Matsuura, Y, Yutani, K.
Deposit date:2015-02-12
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of E.coli CutA1 C16A/C39A/C79A mutation
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