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PDB: 45910 件

7A55
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Structure of DYRK1A in complex with compound 8
分子名称: 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
5ENJ
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BU of 5enj by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
7A4W
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Structure of DYRK1A in complex with compound 3
分子名称: 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
5XK6
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BU of 5xk6 by Molmil
Structure of a prenyltransferase soaked with IPP
分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
1F20
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BU of 1f20 by Molmil
CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE FAD/NADP+ DOMAIN AT 1.9A RESOLUTION.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLYCEROL, ...
著者Zhang, J, Martasek, P, Masters, B.S, Kim, J.P.
登録日2000-05-22
公開日2001-10-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the FAD/NADPH-binding domain of rat neuronal nitric-oxide synthase. Comparisons with NADPH-cytochrome P450 oxidoreductase.
J.Biol.Chem., 276, 2001
7A5B
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Structure of DYRK1A in complex with complex 10
分子名称: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
4D6T
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Cytochrome bc1 bound to the 4(1H)-pyridone GW844520
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ...
著者Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V.
登録日2014-11-14
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
6ZZG
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MB_CRS6-1 bound to CrSAS-6_N
分子名称: ACETATE ION, Centriole protein, MB_CRS6-15
著者Hatzopoulos, G.N, Kukenshoner, T, Banterle, N, Favez, T, Fluckiger, I, Hantschel, O, Gonczy, P.
登録日2020-08-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Tuning SAS-6 architecture with monobodies impairs distinct steps of centriole assembly.
Nat Commun, 12, 2021
3MZB
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BU of 3mzb by Molmil
X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2
分子名称: 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S.
登録日2010-05-12
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex
NAT.CHEM., 2, 2010
5IQX
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BU of 5iqx by Molmil
1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa
分子名称: D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M.
登録日2016-03-11
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
6L9K
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BU of 6l9k by Molmil
H2-Ld a1a2 complexed with A5 peptide
分子名称: H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE
著者Wei, P.C, Yin, L.
登録日2019-11-10
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
6ULE
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BU of 6ule by Molmil
Crystal structure of 2541 Fab in complex with circumsporozoite protein NANP5
分子名称: 2541 Antibody, heavy chain, light chain, ...
著者Thai, E, Scally, S.W, Murugan, R, Wardemann, H, Julien, J.P.
登録日2019-10-07
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
分子名称: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
6AAU
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BU of 6aau by Molmil
Solution Structure for m62A helix 45 in 3' end of 12S rRNA
分子名称: RNA (24-mer)
著者Liu, X, Wu, P.
登録日2018-07-19
公開日2019-06-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
6EBG
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BU of 6ebg by Molmil
Ohr (Organic Hydroperoxide Resistance protein) mutant - C60S interacting with dihydrolipoamide
分子名称: (6S)-6,8-disulfanyloctanamide, Organic hydroperoxide resistance protein
著者Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
登録日2018-08-06
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
5EYQ
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BU of 5eyq by Molmil
Racemic crystal structures of Pribnow box consensus promoter sequence (Pnna)
分子名称: Complementary strand, Pribnow box template strand, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I.
登録日2015-11-25
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography.
Nucleic Acids Res., 44, 2016
4PNX
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BU of 4pnx by Molmil
Crystal structure of the complex of lactoperoxidase with bromo methane at 2.41 angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMOMETHANE, CALCIUM ION, ...
著者Sirohi, H.V, Tyagi, T.K, Singh, A.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-02-22
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
7RTE
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BU of 7rte by Molmil
X-ray structure of wild type RBPJ-L3MBTL3-DNA complex
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ...
著者Hall, D.P, Kovall, R.A, Yuan, Z.
登録日2021-08-13
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3.
Nucleic Acids Res., 50, 2022
6TWV
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BU of 6twv by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany with human receptor analogue, 6'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
1F44
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BU of 1f44 by Molmil
CRYSTAL STRUCTURE OF TRIMERIC CRE RECOMBINASE-LOX COMPLEX
分子名称: CRE RECOMBINASE, DNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)-3'), DNA (5'-D(*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3')
著者Baldwin, E.P, Woods, K.C.
登録日2000-06-07
公開日2001-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Quasi-equivalence in site-specific recombinase structure and function: crystal structure and activity of trimeric Cre recombinase bound to a three-way Lox DNA junction.
J.Mol.Biol., 313, 2001
4CVY
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BU of 4cvy by Molmil
Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron.
分子名称: DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION
著者Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1.
Acs Chem.Biol., 10, 2015
5B38
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KIR3DL1*005 in complex with HLA-B*57:01
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Rossjohn, J.
登録日2016-02-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Killer cell immunoglobulin-like receptor 3DL1 polymorphism defines distinct hierarchies of HLA class I recognition
J.Exp.Med., 213, 2016
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
7RTI
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BU of 7rti by Molmil
X-ray structure of RBPJ-L3MBTL3(dT62)-DNA complex
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ...
著者Hall, D.P, Kovall, R.A, Yuan, Z.
登録日2021-08-13
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3.
Nucleic Acids Res., 50, 2022

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