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7AUG
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BU of 7aug by Molmil
Crystal structure of rsGCamP1.3 in the ON state
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ...
著者Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
登録日2020-11-03
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
6L7K
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BU of 6l7k by Molmil
solution structure of hIFABP V60C/Y70C variant.
分子名称: Fatty acid-binding protein, intestinal
著者Fan, J, Yang, D.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Ligand Entry into Fatty Acid Binding Protein via Local Unfolding Instead of Gap Widening.
Biophys.J., 118, 2020
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
1IOP
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BU of 1iop by Molmil
INCORPORATION OF A HEMIN WITH THE SHORTEST ACID SIDE-CHAINS INTO MYOGLOBIN
分子名称: 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN, CYANIDE ION, MYOGLOBIN, ...
著者Igarashi, N, Neya, S, Funasaki, N, Tanaka, N.
登録日1997-12-12
公開日1998-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of 6,7-dicarboxyheme-substituted myoglobin
Biochemistry, 37, 1998
8E3Y
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BU of 8e3y by Molmil
Cryo-EM structure of the VPAC1R-PACAP27-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Piper, S.J, Danev, R, Sexton, P, Wootten, D.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, Tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
登録日2010-04-29
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
6YLZ
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BU of 6ylz by Molmil
X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli
分子名称: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
著者Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.558 Å)
主引用文献Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
6YMH
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BU of 6ymh by Molmil
X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP
分子名称: FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
著者Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
登録日2020-04-08
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.417 Å)
主引用文献Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
7OQD
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BU of 7oqd by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
分子名称: 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2021-06-03
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
8UFO
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BU of 8ufo by Molmil
Crystal Structure of Gastrointestinal HAstV VA1 capsid spike domain at 1.46 A resolution
分子名称: Capsid polyprotein VP90
著者Ghosh, A, DuBois, R.M.
登録日2023-10-04
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024
8G4S
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BU of 8g4s by Molmil
40S ribosomal subunit of the 80S Giardia intestinalis assemblage A ribosome with Emetine bound in V2 conformation with mRNA and three tRNAs.
分子名称: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
著者Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
登録日2023-02-10
公開日2024-01-31
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
8OV6
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BU of 8ov6 by Molmil
Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
分子名称: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
著者Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
登録日2023-04-25
公開日2023-05-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
登録日2020-01-29
公開日2020-09-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
4EN4
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BU of 4en4 by Molmil
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Safo, M.K, Musayev, F.N, Gandhi, A.K.
登録日2012-04-12
公開日2012-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
7L99
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BU of 7l99 by Molmil
Crystal structure of BRDT bromodomain 2 in complex with CDD-1302
分子名称: Bromodomain testis-specific protein, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
著者Sharma, R, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M.
登録日2021-01-03
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
7L9A
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BU of 7l9a by Molmil
Crystal structure of BRDT bromodomain 2 in complex with CDD-1102
分子名称: BETA-MERCAPTOETHANOL, Bromodomain testis-specific protein, N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
著者Sharma, R, Kaur, G, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M.
登録日2021-01-03
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery and characterization of bromodomain 2-specific inhibitors of BRDT.
Proc.Natl.Acad.Sci.USA, 118, 2021
1T8V
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BU of 1t8v by Molmil
The NMR structure of d34a i-fabp: implications for the determinants of ligand binding stoichiometry
分子名称: Fatty acid-binding protein, intestinal
著者Ogbay, B, Cistola, D.P.
登録日2004-05-13
公開日2005-10-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献THE NMR STRUCTURE OF D34A I-FABP: IMPLICATIONS FOR THE DETERMINANTS OF LIGAND BINDING STOICHIOMETRY
To be published
4EOH
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BU of 4eoh by Molmil
Crystal Structure of Human PL Kinase with bound Theophylline
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Pyridoxal Kinase, SODIUM ION, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N.
登録日2012-04-14
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
1T76
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BU of 1t76 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a WxxVW motif
分子名称: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
著者Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
登録日2004-05-08
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
5O38
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BU of 5o38 by Molmil
Human Brd2(BD2) mutant in free form
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol, Bromodomain-containing protein 2, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3C
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BU of 5o3c by Molmil
Human Brd2(BD2) mutant in complex with 9-Me
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6OZH
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BU of 6ozh by Molmil
Crystal structure of Ciona intestinalis (Ci) Endonuclease V in complex with a 24mer DNA containing an inosine followed by a ribo-adenosine
分子名称: CALCIUM ION, DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3'), endonuclease V isoform X2
著者Samara, N.L, Yang, W.
登録日2019-05-15
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.026 Å)
主引用文献Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZI
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BU of 6ozi by Molmil
Crystal structure of Ciona intestinalis (Ci) Endonuclease V (D234N) in complex with a 23mer DNA containing an inosine followed by a ribo-adenosine
分子名称: DNA/RNA (23-MER), POTASSIUM ION, TRIETHYLENE GLYCOL, ...
著者Samara, N.L, Yang, W.
登録日2019-05-15
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
5O3D
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BU of 5o3d by Molmil
Human Brd2(BD2) mutant in complex with 9-ET
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O39
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BU of 5o39 by Molmil
Human Brd2(BD2) mutant in complex with ME
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018

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