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4XHD
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BU of 4xhd by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1
分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
著者Khan, J.A, Camac, D.M.
登録日2015-01-05
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
3WPP
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BU of 3wpp by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii)
分子名称: CHLORIDE ION, Trimeric autotransporter adhesin
著者Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
登録日2014-01-15
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
1U3Z
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BU of 1u3z by Molmil
Crystal structure of MLAC mutant of dimerisation domain of NF-kB p50 transcription factor
分子名称: Nuclear factor NF-kappa-B p105 subunit
著者Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M.
登録日2004-07-23
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding
Structure, 12, 2004
3WQA
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BU of 3wqa by Molmil
Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1ii)
分子名称: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
著者Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
登録日2014-01-24
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
4XLD
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BU of 4xld by Molmil
Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ...
著者Delfosse, V, Guichou, J.-F.
登録日2015-01-13
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4Y30
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BU of 4y30 by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411
分子名称: GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-10
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
6OJN
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BU of 6ojn by Molmil
Comparative Model of SGIV Major Coat Protein (MCP) Trimer Based on Cryo-EM Map
分子名称: Major capsid protein
著者Pintilie, G, Chen, D.-H, Tran, B.N, Jakana, J, Wu, J, Hew, C.L, Chiu, W.
登録日2019-04-11
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献Segmentation and Comparative Modeling in an 8.6- angstrom Cryo-EM Map of the Singapore Grouper Iridovirus.
Structure, 27, 2019
4ERZ
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BU of 4erz by Molmil
X-ray structure of WDR5-MLL4 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-21
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
3WPR
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BU of 3wpr by Molmil
Acinetobacter sp. Tol 5 AtaA N-terminal half of C-terminal stalk fused to GCN4 adaptors (CstalkN)
分子名称: Trimeric autotransporter adhesin
著者Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K.
登録日2014-01-15
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin.
J.Biol.Chem., 291, 2016
3WWT
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BU of 3wwt by Molmil
Crystal Structure of the Y3:STAT1ND complex
分子名称: C' protein, CALCIUM ION, Signal transducer and activator of transcription 1-alpha/beta
著者Oda, K, Sakaguchi, T, Matoba, Y.
登録日2014-06-27
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of the Inhibition of STAT1 Activity by Sendai Virus C Protein.
J.Virol., 89, 2015
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
分子名称: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
著者Patel, A, Panne, D.
登録日2022-04-11
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
4NYC
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BU of 4nyc by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with thieno[2,3-b]pyrazin-7-amine
分子名称: MAGNESIUM ION, MANGANESE (II) ION, thiM TPP riboswitch, ...
著者Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R.
登録日2013-12-10
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
5IXK
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BU of 5ixk by Molmil
RORgamma in complex with inverse agonist BIO399.
分子名称: N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2016-03-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Bmc Struct.Biol., 16, 2016
6DMP
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BU of 6dmp by Molmil
De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks
分子名称: Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B
著者Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
4ERQ
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BU of 4erq by Molmil
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL2, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-20
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
5KI6
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BU of 5ki6 by Molmil
Human Argonaute-2 bound to a guide RNA with a nucleobase modification at position 1
分子名称: PHENOL, Protein argonaute-2, miR-122
著者Schirle, N.T, MacRae, I.J.
登録日2016-06-16
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Structure-Guided Control of siRNA Off-Target Effects.
J.Am.Chem.Soc., 138, 2016
5JWQ
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BU of 5jwq by Molmil
Crystal structure of KaiC S431E in complex with foldswitch-stabilized KaiB from Thermosynechococcus elongatus
分子名称: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
著者Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.871 Å)
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5K1A
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BU of 5k1a by Molmil
Crystal structure of the UAF1-USP12 complex in C2 space group
分子名称: Ubiquitin carboxyl-terminal hydrolase 12, WD repeat-containing protein 48, ZINC ION
著者Li, H, D'Andrea, A.D, Zheng, N.
登録日2016-05-18
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
5K3N
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BU of 5k3n by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
分子名称: (3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one, Nuclear receptor ROR-gamma
著者Huang, P, Rastinejad, F, Lu, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.666 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
To be published
4XMN
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BU of 4xmn by Molmil
Structure of the yeast coat nucleoporin complex, space group P212121
分子名称: Antibody 87 heavy chain, Antibody 87 light chain, Nucleoporin NUP120, ...
著者Stuwe, T, Correia, A.R, Lin, D.H, Paduch, M, Lu, V.T, Kossiakoff, A.A, Hoelz, A.
登録日2015-01-14
公開日2015-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (7.6 Å)
主引用文献Nuclear pores. Architecture of the nuclear pore complex coat.
Science, 347, 2015
4XTA
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BU of 4xta by Molmil
MECHANISMS OF PPARgamma ACTIVATION BY NON-STEROIDAL ANTI-INFLAMMATORY DRUGS
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-23
公開日2015-11-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
分子名称: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
著者Wang, Y, Stout, S.L.
登録日2016-05-17
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
4Y2H
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BU of 4y2h by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor
分子名称: GLYCEROL, N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-09
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
6OCX
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BU of 6ocx by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245109
分子名称: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245109
著者Puhl, A.C, Godoy, A.S, Pearce, K.
登録日2019-03-25
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020

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