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4BV0
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BU of 4bv0 by Molmil
High Resolution Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
分子名称: NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
著者Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Schuetz, M, Plueckthun, A.
登録日2013-06-24
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
7DLZ
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BU of 7dlz by Molmil
Crystal Structure of Methyltransferase Ribozyme
分子名称: RNA (45-MER), U1 small nuclear ribonucleoprotein A
著者Gan, J.H, Gao, Y.Q, Jiang, H.Y, Chen, D.R, Murchie, A.I.H.
登録日2020-11-30
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences
Nat Catal, 4, 2021
3NGP
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BU of 3ngp by Molmil
High resolution structure of alpha-spectrin SH3 domain mutant with a redesigned core
分子名称: Spectrin alpha chain, brain
著者Camara-Artigas, A, Gavira, J.A, Martin-Garcia, J.M.
登録日2010-06-12
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.084 Å)
主引用文献High-resolution structure of an alpha-spectrin SH3-domain mutant with a redesigned hydrophobic core.
Acta Crystallogr.,Sect.F, 66, 2010
7DOZ
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BU of 7doz by Molmil
HIV-1 Protease D30N mutant in complex with Nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease
著者Bihani, S.C, Hosur, M.V.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease.
J.Biomol.Struct.Dyn., 2021
3NML
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BU of 3nml by Molmil
Sperm whale myoglobin mutant H64W carbonmonoxy-form
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Birukou, I, Soman, J, Olson, J.S.
登録日2010-06-22
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
3NHZ
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BU of 3nhz by Molmil
Structure of N-terminal Domain of MtrA
分子名称: MAGNESIUM ION, Two component system transcriptional regulator mtrA
著者Barbieri, C.M, Mack, T.R, Robinson, V.L, Miller, M.T, Stock, A.M.
登録日2010-06-14
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
6EJ3
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BU of 6ej3 by Molmil
BACE1 compound 23
分子名称: (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1
著者Johansson, P.
登録日2017-09-20
公開日2018-04-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
7DG4
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BU of 7dg4 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-10
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6EAX
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BU of 6eax by Molmil
Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
分子名称: CALCIUM ION, CYS-THR-LYS-SER-ILE-CYS, Cationic trypsin, ...
著者Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G.
登録日2018-08-03
公開日2019-08-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.189 Å)
主引用文献Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
7D9N
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BU of 7d9n by Molmil
Crystal structure of a non-canonic progeria mutation S143F at lamin A/C and its structural implication to the premature aging
分子名称: Lamin-A/C
著者Ahn, J, Jung, S, Ha, N.
登録日2020-10-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of progeria mutant S143F lamin A/C reveals increased hydrophobicity driving nuclear deformation.
Commun Biol, 5, 2022
3NFE
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BU of 3nfe by Molmil
The crystal structure of hemoglobin I from trematomus newnesi in deoxygenated state
分子名称: Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE
著者Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L.
登録日2010-06-10
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
6EDF
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BU of 6edf by Molmil
Fragment of a tyrosine-protein kinase
分子名称: FYN, GLYCEROL, UNKNOWN ATOM OR ION
著者Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC)
登録日2018-08-09
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment of a tyrosine-protein kinase
To be Published
3NMR
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BU of 3nmr by Molmil
Crystal Structure of CUGBP1 RRM1/2-RNA Complex
分子名称: CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3')
著者Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J.
登録日2010-06-22
公開日2010-10-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1.
Structure, 18, 2010
7DH3
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BU of 7dh3 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 5
分子名称: 2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-12
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The co-crystal structure of DYRK2 with a small molecule inhibitor 5
To Be Published
7DHO
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BU of 7dho by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 14
分子名称: 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DH9
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BU of 7dh9 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 7
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHC
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BU of 7dhc by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 10
分子名称: 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-13
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHH
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BU of 7dhh by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 19
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-14
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHN
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BU of 7dhn by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 20
分子名称: 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHK
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BU of 7dhk by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 13
分子名称: 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
4CBN
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BU of 4cbn by Molmil
Crystal structure of Complement Factor D mutant R202A after conventional refinement
分子名称: COMPLEMENT FACTOR D, GLYCEROL
著者Forneris, F, Burnley, B.T, Gros, P.
登録日2013-10-15
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ensemble Refinement Shows Conformational Flexibility in Crystal Structures of Human Complement Factor D
Acta Crystallogr.,Sect.D, 70, 2014
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
分子名称: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 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Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2018-07-24
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6E6K
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BU of 6e6k by Molmil
Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD)
分子名称: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7
著者Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2018-07-25
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
3NDD
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BU of 3ndd by Molmil
Cleaved antitrypsin with P10 Pro, and P9-P6 Asp
分子名称: Alpha-1-antitrypsin
著者Yamasaki, M, Sendall, T.J, Huntington, J.A.
登録日2010-06-07
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Loop-sheet mechanism of serpin polymerization tested by reactive center loop mutations
J. Biol. Chem., 285, 2010

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