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PDB: 45712 件

1B21
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DELETION OF A BURIED SALT BRIDGE IN BARNASE
分子名称: PROTEIN (BARNASE), ZINC ION
著者Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R.
登録日1998-12-03
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase.
Acta Crystallogr.,Sect.D, 58, 2002
5J3U
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Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A
著者El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC)
登録日2016-03-31
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP
To Be Published
4K4Y
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Coxsackievirus B3 polymerase elongation complex (r2+1_form)
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, ACETATE ION, DNA/RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*(DOC))-3'), ...
著者Gong, P, Peersen, O.B.
登録日2013-04-12
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
6U1N
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GPCR-Beta arrestin structure in lipid bilayer
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
著者Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
登録日2019-08-16
公開日2020-02-26
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
2KTZ
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Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA
分子名称: (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA
著者Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R.
登録日2010-02-10
公開日2010-04-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
4TTV
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Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194
分子名称: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ...
著者Fang, P, Guo, M.
登録日2014-06-23
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
Sci Rep, 5, 2015
8EU8
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Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 10.17DT SOSIP Envelope glycoprotein gp160
著者Wrapp, D, Acharya, P, Haynes, B.F.
登録日2022-10-18
公開日2023-01-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
5U0H
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Crystal structure of GH family 9 endoglucanase J30
分子名称: CITRATE ANION, GLYCEROL, J30
著者Ellinghaus, T.L, Pereira, J.H, McAndrew, R.P, Welner, D.H, Adams, P.D.
登録日2016-11-24
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering glycoside hydrolase stability by the introduction of zinc binding.
Acta Crystallogr D Struct Biol, 74, 2018
5D2K
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4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and 2-oxoadipate
分子名称: 1,2-ETHANEDIOL, 2-OXOADIPIC ACID, 4-oxalocrotonate decarboxylase NahK, ...
著者Guimaraes, S.L, Nagem, R.A.P.
登録日2015-08-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
7YGC
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BU of 7ygc by Molmil
Cryo-EM structure of Tetrahymena ribozyme conformation 4 undergoing the second-step self-splicing
分子名称: MAGNESIUM ION, RNA (393-MER), RNA (5'-R(*CP*CP*CP*UP*CP*UP*UP*AP*AP*CP*C)-3'), ...
著者Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K.
登録日2022-07-11
公開日2023-03-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM.
Nat Commun, 14, 2023
6BGG
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Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide
分子名称: Bromodomain-containing protein 3, CHD4
著者Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P.
登録日2017-10-28
公開日2018-03-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J. Biol. Chem., 293, 2018
6FWH
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Acanthamoeba IGPD in complex with R-C348 to 1.7A resolution
分子名称: Imidazoleglycerol-phosphate dehydratase, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Roberts, C.W, Bisson, C, Baker, P.J.
登録日2018-03-06
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and functional studies of histidine biosynthesis in Acanthamoeba spp. demonstrates a novel molecular arrangement and target for antimicrobials.
PLoS ONE, 13, 2018
3Q02
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Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Plasminogen activator inhibitor 1, ...
著者Jensen, J.K, Morth, J.P.
登録日2010-12-15
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
4RQ9
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Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state
分子名称: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, GLYCEROL, ...
著者Woitowich, N.C, Halavaty, A.S, Gallagher, K.D, Nugent, A.C, Patel, H, Duong, P, Kovaleva, S.E, St.Peter, S, Ozarowski, W.B, Hernandez, C.N, Stojkovic, E.A.
登録日2014-10-31
公開日2016-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state
To be Published
5JAC
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BU of 5jac by Molmil
Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
1AVN
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
分子名称: AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ...
著者Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T.
登録日1997-09-17
公開日1997-12-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
5D79
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Structure of BBE-like #28 from Arabidopsis thaliana
分子名称: Berberine bridge enzyme-like protein, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Daniel, B, Kumar, P, Gruber, K.
登録日2015-08-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae.
Plos One, 11, 2016
3Q4J
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Structure of a small peptide ligand bound to E.coli DNA sliding clamp
分子名称: DNA polymerase III subunit beta, peptide ligand
著者Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D.
登録日2010-12-23
公開日2011-12-28
最終更新日2013-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design of short peptide ligands binding onto the E. coli processivity ring.
J.Med.Chem., 54, 2011
2WJ8
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Respiratory Syncitial Virus RiboNucleoProtein
分子名称: BORATE ION, NUCLEOPROTEIN, RNA (5'-R(*CP*CP*CP*CP*CP*C)-3')
著者Tawar, R.G, Duquerroy, S, Vonrhein, C, Varela, P.F, Damier-Piolle, L, Castagne, N, MacLellan, K, Bedouelle, H, Bricogne, G, Bhella, D, Eleouet, J, Rey, F.A.
登録日2009-05-25
公開日2009-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Crystal Structure of a Nucleocapsid-Like Nucleoprotein-RNA Complex of Respiratory Syncytial Virus
Science, 326, 2009
6BN7
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Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.
分子名称: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
著者Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
登録日2017-11-16
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
8E6D
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Crystal structure of MERS 3CL protease in complex with a p-fluorophenyl dimethyl sulfane inhibitor
分子名称: (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
登録日2022-08-22
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
8FMQ
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Complex structure of K210 deletion Troponin complex with alendronate
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-24
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.248 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published
8NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日1999-01-14
公開日2001-11-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
5TQ7
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Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
8FMN
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Complex structure of K210 deletion Troponin complex
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Wang, P, Ahmed, M, Sadek, H.
登録日2022-12-23
公開日2024-01-31
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural and Phenotypic Correction of K210del Genetic Cardiomyopathy by an FDA Approved drug
To Be Published

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