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8GSV
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Crystal structure of human BAK in complex with the Pxt1 BH3 domain
分子名称: Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1
著者Lim, D, Ku, B.
登録日2022-09-07
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-13
公開日2020-12-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
7DNN
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BU of 7dnn by Molmil
Crystal structure of the AgCarB2-C2 complex with homoorientin
分子名称: 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one, AP_endonuc_2 domain-containing protein, AgCarC2, ...
著者Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T.
登録日2020-12-10
公開日2021-10-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
7DNM
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Crystal structure of the AgCarB2-C2 complex
分子名称: AP_endonuc_2 domain-containing protein, AgCarC2, IODIDE ION, ...
著者Senda, M, Kumano, T, Watanabe, S, Kobayashi, M, Senda, T.
登録日2020-12-10
公開日2021-10-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the metabolism of xenobiotic C-glycosides by intestinal bacteria
Nat Commun, 2021
8E3Z
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BU of 8e3z by Molmil
Cryo-EM structure of the VPAC1R-VIP-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 (2.7 Å)
主引用文献Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
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
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
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
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
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
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
4UY9
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BU of 4uy9 by Molmil
Structure of MLK1 kinase domain with leucine zipper 1
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
著者Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
登録日2014-08-29
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4UYA
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BU of 4uya by Molmil
Structure of MLK4 kinase domain with ATPgammaS
分子名称: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
登録日2014-08-29
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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
7ALL
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BU of 7all by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4)
分子名称: Arylsulfatase, CALCIUM ION, IODIDE ION, ...
著者Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A.
登録日2020-10-06
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7AN1
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BU of 7an1 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: Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-10
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANB
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BU of 7anb by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ...
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-11
公開日2021-10-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANA
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BU of 7ana by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-11
公開日2021-11-10
最終更新日2024-05-01
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
7EXZ
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BU of 7exz by Molmil
DgpB-DgpC complex apo 2.5 angstrom
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ...
著者Mori, T, Senda, M, Senda, T, Abe, I.
登録日2021-05-29
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
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

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