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6R6F
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Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6R6P
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Structure of XBP1u-paused ribosome nascent chain complex (rotated state)
分子名称: 18S rRNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shanmuganathan, V, Cheng, J, Berninghausen, O, Beckmann, R.
登録日2019-03-27
公開日2019-07-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mutational analysis of the ribosome-arresting human XBP1u.
Elife, 8, 2019
8PAG
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Crystal structure of the ectodomain of Norway rat pestivirus E2 glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Aitkenhead, H, Stuart, D.I, EL Omari, K.
登録日2023-06-07
公開日2024-03-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural comparison of typical and atypical E2 pestivirus glycoproteins.
Structure, 32, 2024
8PAE
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Structure of the ectodomain of Atypical Porcine Pestivirus E2 at 1.2A resolution
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, Genome polyprotein
著者Aitkenhead, H, Stuart, D.I, EL Omari, K.
登録日2023-06-07
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural comparison of typical and atypical E2 pestivirus glycoproteins.
Structure, 32, 2024
8FKW
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BU of 8fkw by Molmil
Human nucleolar pre-60S ribosomal subunit (State D2)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L10a, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023
7RGS
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BU of 7rgs by Molmil
The crystal structure of RocC, containing FinO domain, 24-126
分子名称: Repressor of competence, RNA Chaperone
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
1DSF
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BU of 1dsf by Molmil
THE CRYSTAL STRUCTURE OF THE DISULFIDE-STABILIZED FV FRAGMENT OF ANTICANCER ANTIBODY B1: CONFORMATIONAL INFLUENCE OF AN ENGINEERED DISULFIDE BOND
分子名称: ANTICANCER ANTIBODY B1
著者Almog, O, Gilliland, G.L.
登録日1997-05-04
公開日1998-05-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the disulfide-stabilized Fv fragment of anticancer antibody B1: conformational influence of an engineered disulfide bond.
Proteins, 31, 1998
7RGT
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The crystal structure of RocC, containing FinO domain, 1-126
分子名称: Repressor of competence, RNA Chaperone, SULFATE ION
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
8E4A
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Pseudomonas LpxC in complex with LPC-233
分子名称: 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Najeeb, J, Zhou, P.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
6RA4
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BU of 6ra4 by Molmil
Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU
分子名称: GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3')
著者Rondeau, J.-M, Bourgier, E.
登録日2019-04-05
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
8E1E
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Scaffolding protein functional sites using deep learning
分子名称: SG122_C3
著者Bera, A.K, Gerben, S, Baker, D.
登録日2022-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (4.27 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
7RGU
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The crystal structure of RocC bound to a transcriptional terminator
分子名称: Modified SL3 of RocR, Repressor of competence, RNA Chaperone
著者Kim, H.J, Edwards, R.A, Glover, J.N.M.
登録日2021-07-15
公開日2022-11-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for recognition of transcriptional terminator structures by ProQ/FinO domain RNA chaperones.
Nat Commun, 13, 2022
6R6J
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BU of 6r6j by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
7V9K
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BU of 7v9k by Molmil
Telomeric tetranucleosome
分子名称: DNA (539-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Soman, A.
登録日2021-08-25
公開日2022-07-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Columnar structure of human telomeric chromatin.
Nature, 609, 2022
8DYE
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BU of 8dye by Molmil
Crystal structure of human SDHA-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
8DYD
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BU of 8dyd by Molmil
Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
7R39
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BU of 7r39 by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Sulfolobus acidocaldarius in complex with adenosine
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Saleem-Batcha, R, Popadic, D, Andexer, J.N.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases.
Commun Biol, 7, 2024
8ENT
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BU of 8ent by Molmil
Interleukin-21 signaling complex with IL-21R and IL-2Rg
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abhiraman, G.C, Jude, K.M, Garcia, K.C.
登録日2022-09-30
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献A structural blueprint for interleukin-21 signal modulation.
Cell Rep, 42, 2023
7R37
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Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pyrococcus furiosus in complex with inosine
分子名称: Adenosylhomocysteinase, INOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Saleem-Batcha, R, Popadic, D, Andexer, J.N.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases.
Commun Biol, 7, 2024
7R38
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Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pyrococcus furiosus in complex with S-inosyl-L-homocysteine
分子名称: (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Saleem-Batcha, R, Popadic, D, Andexer, J.N.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases.
Commun Biol, 7, 2024
8BNQ
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BU of 8bnq by Molmil
Crystal structure of the FnIII-tandem A84-A86 from the A-band of titin
分子名称: 1,2-ETHANEDIOL, Titin
著者Zacharchenko, T, Fleming, J.R, Mayans, O.
登録日2022-11-14
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular insights into titin's A-band.
J.Muscle Res.Cell.Motil., 44, 2023
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
分子名称: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Swale, C, Bellini, V, Bowler, M.
登録日2021-10-29
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
8GCR
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BU of 8gcr by Molmil
HPV16 E6-E6AP-p53 complex
分子名称: Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ...
著者Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H.
登録日2023-03-02
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structure of the p53 degradation complex from HPV16.
Nat Commun, 15, 2024
8CJL
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BU of 8cjl by Molmil
Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004
分子名称: 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1
著者Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U.
登録日2023-02-13
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
1ULB
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APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
分子名称: GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
著者Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E.
登録日1991-11-05
公開日1993-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88, 1991

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