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2M3J
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BU of 2m3j by Molmil
Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
分子名称: Asteropsin_E
著者Li, H, Jung, J.H.
登録日2013-01-21
公開日2014-03-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
To be Published
4LNM
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BU of 4lnm by Molmil
Structure of Escherichia coli Threonine Aldolase in Complex with Serine
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Safo, M.K, Contestabile, R, Remesh, S.G.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
4LNJ
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Structure of Escherichia coli Threonine Aldolase in Unliganded Form
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ...
著者Safo, M.K, Contestabile, R, Remesh, S.G.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
3T7S
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BU of 3t7s by Molmil
Crystal structure of complex of SAM and BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482
分子名称: Putative methyltransferase, S-ADENOSYLMETHIONINE
著者Kumar, V, Sivaraman, J.
登録日2011-07-31
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of BVU_3255, a methyltransferase from human intestine antibiotic resistant pathogen Bacteroides vulgatus
J.Struct.Biol., 2011
3T7T
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BU of 3t7t by Molmil
Crystal structure of complex of SAH and BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482
分子名称: Putative methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Kumar, V, Sivaraman, J.
登録日2011-07-31
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural characterization of BVU_3255, a methyltransferase from human intestine antibiotic resistant pathogen Bacteroides vulgatus
J.Struct.Biol., 2011
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
5OG9
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BU of 5og9 by Molmil
The BM3 mutant WIFI-WC heme domain in complex with testosterone
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gamble, C, Munro, A.W, Leys, D.
登録日2017-07-12
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution
To Be Published
3T7R
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BU of 3t7r by Molmil
Crystal structure of apo BVU_3255, a methyltransferase from Bacteroides vulgatus ATCC 8482
分子名称: 3-[(2Z)-3-methylpent-2-en-1-yl]benzene-1,2-diol, Putative methyltransferase
著者Kumar, V, Sivaraman, J.
登録日2011-07-31
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural characterization of BVU_3255, a methyltransferase from human intestine antibiotic resistant pathogen Bacteroides vulgatus
J.Struct.Biol., 2011
5OJJ
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BU of 5ojj by Molmil
Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ...
著者Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H.
登録日2017-07-21
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
5OM9
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BU of 5om9 by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor
分子名称: (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION
著者Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D.
登録日2017-07-28
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
ACS Med Chem Lett, 8, 2017
3P0U
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BU of 3p0u by Molmil
Crystal Structure of the ligand binding domain of human testicular receptor 4
分子名称: Nuclear receptor subfamily 2 group C member 2
著者Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E.
登録日2010-09-29
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor.
J.Biol.Chem., 286, 2011
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
著者Estebanez-Perpina, E, Fletterick, R.
登録日2007-07-25
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7BPR
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BU of 7bpr by Molmil
Crystal structure of human TEX101
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101
著者Masutani, M, Sakurai, S, Shimizu, T, Ohto, U.
登録日2020-03-23
公開日2020-07-15
最終更新日2020-12-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
7BPS
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BU of 7bps by Molmil
Crystal structure of mouse TEX101
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ...
著者Masutani, M, Sakurai, S, Shimizu, T, Ohto, U.
登録日2020-03-23
公開日2020-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
1F5F
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BU of 1f5f by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Avvakumov, V.A, Muller, Y.A, Hammond, G.L.
登録日2000-06-14
公開日2000-09-06
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
3L3N
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BU of 3l3n by Molmil
Testis ACE co-crystal structure with novel inhibitor lisW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ...
著者Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D.
登録日2009-12-17
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril.
Biochem.J., 428, 2010
2PKL
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BU of 2pkl by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J.
登録日2007-04-17
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIU
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BU of 2piu by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIT
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BU of 2pit by Molmil
Androgen receptor LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
著者Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
登録日2007-04-13
公開日2007-09-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3BKL
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BU of 3bkl by Molmil
Testis ACE co-crystal structure with ketone ACE inhibitor kAW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D.
登録日2007-12-07
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme
Biochemistry, 47, 2008
7F3P
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BU of 7f3p by Molmil
Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION
著者Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D.
登録日2021-06-16
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
7EAG
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BU of 7eag by Molmil
Crystal structure of the RAGATH-18 k-turn
分子名称: RNA (5'-R(*GP*UP*CP*UP*AP*UP*GP*AP*AP*GP*GP*CP*UP*GP*GP*AP*GP*AP*C)-3')
著者Huang, L, Lilley, D.M.J.
登録日2021-03-07
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules.
Nucleic Acids Res., 49, 2021
7EAF
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BU of 7eaf by Molmil
Crystal structure of SAM-I riboswitch with the Actinomyces-1 k-turn
分子名称: BARIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE, ...
著者Huang, L, Lilley, D.M.J.
登録日2021-03-07
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules.
Nucleic Acids Res., 49, 2021
7OOJ
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BU of 7ooj by Molmil
Structure of D-Thr53 Ubiquitin
分子名称: CADMIUM ION, Ubiquitin
著者Becker, S.
登録日2021-05-27
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A litmus test for classifying recognition mechanisms of transiently binding proteins.
Nat Commun, 13, 2022
1QU9
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BU of 1qu9 by Molmil
1.2 A CRYSTAL STRUCTURE OF YJGF GENE PRODUCT FROM E. COLI
分子名称: YJGF PROTEIN
著者Volz, K.
登録日1999-07-07
公開日1999-12-01
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A test case for structure-based functional assignment: the 1.2 A crystal structure of the yjgF gene product from Escherichia coli
Protein Sci., 8, 1999

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