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7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6LMK
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BU of 6lmk by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gs
分子名称: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B.
登録日2019-12-26
公開日2020-04-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
著者Guo, X, Feng, L.
登録日2022-08-04
公開日2022-11-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
7Y9G
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BU of 7y9g by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
7Y9H
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BU of 7y9h by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diterpene synthase VenA, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
4IF2
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BU of 4if2 by Molmil
Structure of the phosphotriesterase from Mycobacterium tuberculosis
分子名称: Phosphotriesterase homology protein, ZINC ION
著者Zhang, L, Li, X, Rao, Z.H.
登録日2012-12-13
公開日2013-12-18
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The crystal structure of the phosphotriesterase from M. tuberculosis, another member of phosphotriesterase-like lactonase family.
Biochem.Biophys.Res.Commun., 510, 2019
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
9I4H
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BU of 9i4h by Molmil
Factor Inhibiting HIF (FIH) in complex with manganese and 3-Hydroxy-5-(3-(4-(hydroxymethyl)-3-nitrophenyl)isoxazol-5-yl)picolinoyl)glycine
分子名称: 2-[[5-[3-[4-(hydroxymethyl)-3-nitro-phenyl]-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, MANGANESE (II) ION
著者Kaur, S, Zhang, X.J, Schofield, C.J.
登録日2025-01-24
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Light-Induced, Lysine-Targeting Irreversible Covalent Inhibition of the Human Oxygen Sensing Hydroxylase Factor Inhibiting HIF (FIH).
J.Am.Chem.Soc., 147, 2025
8I88
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BU of 8i88 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA complex
分子名称: Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein
著者Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-05
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
6LNA
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BU of 6lna by Molmil
YdiU complex with AMPNPP and Mn2+
分子名称: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, B, Yang, Y, Ma, Y.
登録日2019-12-28
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献The YdiU Domain Modulates Bacterial Stress Signaling through Mn 2+ -Dependent UMPylation.
Cell Rep, 32, 2020
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
1W66
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BU of 1w66 by Molmil
Structure of a lipoate-protein ligase b from Mycobacterium tuberculosis
分子名称: DECANOIC ACID, LIPOYLTRANSFERASE
著者Ma, Q, Wilmanns, M.
登録日2004-08-13
公開日2005-12-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Proc.Natl.Acad.Sci.USA, 103, 2006
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6LDQ
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BU of 6ldq by Molmil
Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
分子名称: THIOCYANATE ION, Tll1590 protein
著者Su, J.
登録日2019-11-22
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond.
Front Microbiol, 11, 2020
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
分子名称: BICINE, Cytochrome P450, GLYCEROL, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-21
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
5X8S
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BU of 5x8s by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Ursolic acid.
分子名称: Nuclear receptor ROR-gamma, Ursolic acid
著者Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
登録日2017-03-03
公開日2017-06-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
6LJP
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BU of 6ljp by Molmil
Crystal structure of human galectin-16
分子名称: Galectin-16
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
6LJQ
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BU of 6ljq by Molmil
human galectin-16 R55N
分子名称: Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
6LJR
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BU of 6ljr by Molmil
human galectin-16 R55N/H57R
分子名称: Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-12-17
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
8SDG
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BU of 8sdg by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.43 heavy chain, Neutralizing antibody CC25.43 light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-04-06
公開日2024-03-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
2Q12
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BU of 2q12 by Molmil
Crystal Structure of BAR domain of APPL1
分子名称: DCC-interacting protein 13 alpha
著者Zhang, X.C, Zhu, G.
登録日2007-05-23
公開日2007-08-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the APPL1 BAR-PH domain and characterization of its interaction with Rab5.
Embo J., 26, 2007

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