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5W0I
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BU of 5w0i by Molmil
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
3QNU
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BU of 3qnu by Molmil
Crystal structure of the cytosolic domain of human atlastin-1 in complex with GDP, hexagonal form
Descriptor: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liu, X.
Deposit date:2011-02-09
Release date:2011-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the atlastin GTPase provide insight into homotypic fusion of endoplasmic reticulum membranes.
Proc.Natl.Acad.Sci.USA, 108, 2011
6Y30
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BU of 6y30 by Molmil
NG domain of human SRP54 T115A mutant
Descriptor: Signal recognition particle 54 kDa protein
Authors:Juaire, K.D, Wild, K, Sinning, I.
Deposit date:2020-02-17
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
3QOF
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BU of 3qof by Molmil
Crystal structure of the cytosolic domain of human atlastin-1 in complex with GDP, orthorhombic form
Descriptor: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liu, X.
Deposit date:2011-02-09
Release date:2011-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structures of the atlastin GTPase provide insight into homotypic fusion of endoplasmic reticulum membranes.
Proc.Natl.Acad.Sci.USA, 108, 2011
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
8Q0P
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BU of 8q0p by Molmil
Crystal Structure of an N-terminal Domain of Variant Surface Glycoprotein 21 (VSG21) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein MITat 1.21
Authors:Zeelen, J.P, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8Q0E
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BU of 8q0e by Molmil
Crystal Structure of the N-terminal Domain of Variant Surface Glycoprotein 545 (VSG545) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein 545
Authors:van Straaten, M, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
7D0E
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BU of 7d0e by Molmil
Crystal structure of FIP200 Claw/p-CCPG1 FIR2
Descriptor: 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol, Cell cycle progression protein 1 FIR2, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, Z.X, Pan, L.F.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphorylation regulates the binding of autophagy receptors to FIP200 Claw domain for selective autophagy initiation.
Nat Commun, 12, 2021
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
Descriptor: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
7CZM
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BU of 7czm by Molmil
Crystal structure of FIP200 Claw/p-OPtineurin LIR complex
Descriptor: CHLORIDE ION, GLYCEROL, Optineurin LIR, ...
Authors:Zhou, Z.X, Pan, L.F.
Deposit date:2020-09-09
Release date:2021-03-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphorylation regulates the binding of autophagy receptors to FIP200 Claw domain for selective autophagy initiation.
Nat Commun, 12, 2021
7CZG
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BU of 7czg by Molmil
Crystal structure of FIP200 Claw domain apo form
Descriptor: DI(HYDROXYETHYL)ETHER, RB1-inducible coiled-coil protein 1
Authors:Zhou, Z.X, Pan, L.F.
Deposit date:2020-09-08
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phosphorylation regulates the binding of autophagy receptors to FIP200 Claw domain for selective autophagy initiation.
Nat Commun, 12, 2021
4JF4
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BU of 4jf4 by Molmil
OXA-23 meropenem complex
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B, Toth, M.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
6YRO
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BU of 6yro by Molmil
Streptococcus suis SadP mutant - N285D
Descriptor: GLYCEROL, SODIUM ION, SadP
Authors:Papageorgiou, A.C, Haataja, S.
Deposit date:2020-04-20
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease.
J.Biol.Chem., 295, 2020
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
Descriptor: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
7BQ3
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BU of 7bq3 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
4JF5
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BU of 4jf5 by Molmil
Structure of OXA-23 at pH 4.1
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2013-02-27
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
5ELX
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BU of 5elx by Molmil
S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3
Descriptor: ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Merchant, M.K, Modis, Y.
Deposit date:2015-11-05
Release date:2016-02-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5).
J.Mol.Biol., 428, 2016
6NOU
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BU of 6nou by Molmil
An scFv derived from ixekizumab
Descriptor: GLYCEROL, scFv derived from ixekizumab
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
Deposit date:2020-11-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
7BQ4
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BU of 7bq4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7BPZ
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BU of 7bpz by Molmil
X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
7BQ0
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BU of 7bq0 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020

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數據於2024-11-06公開中

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