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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
4PVF
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BU of 4pvf by Molmil
Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ...
著者Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F.
登録日2014-03-17
公開日2015-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state.
Febs J., 282, 2015
4ADW
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BU of 4adw by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
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
4LNJ
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BU of 4lnj by Molmil
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
4BGL
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BU of 4bgl by Molmil
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus
分子名称: FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE
著者Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V.
登録日2013-03-27
公開日2014-04-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction
Acta Crystallogr.,Sect.D, 71, 2015
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
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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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
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
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
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
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
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
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
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
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
6SOD
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BU of 6sod by Molmil
Fragment N14056a in complex with MAP kinase p38-alpha
分子名称: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6SOV
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BU of 6sov by Molmil
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha
分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-30
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1TGG
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BU of 1tgg by Molmil
RH3 DESIGNED RIGHT-HANDED COILED COIL TRIMER
分子名称: CHLORIDE ION, NICKEL (II) ION, right-handed coiled coil trimer
著者Plecs, J.J, Harbury, P.B, Kim, P.S, Alber, T.
登録日2004-05-28
公開日2004-10-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural test of the parameterized-backbone method for protein design
J.Mol.Biol., 342, 2004
1JQU
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BU of 1jqu by Molmil
Are Carboxy Terminii of Helices Coded by the Local Sequence or by Tertiary Structure Contacts
分子名称: Lysozyme
著者Sagermann, M, Martensson, L.-G, Baase, W.A, Matthews, B.W.
登録日2001-08-08
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A test of proposed rules for helix capping: Implications for protein design
Protein Sci., 11, 2002
7F3P
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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
7OOJ
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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
7EAG
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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

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