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5LU5
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A quantum half-site enzyme
分子名称: 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
5LU6
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BU of 5lu6 by Molmil
Heptose isomerase mutant - H64Q
分子名称: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
5LU7
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BU of 5lu7 by Molmil
Heptose isomerase GmhA mutant - D61A
分子名称: 1,2-ETHANEDIOL, 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, Phosphoheptose isomerase, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
1N46
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BU of 1n46 by Molmil
CRYSTAL STRUCTURE OF HUMAN TR BETA LIGAND-BINDING DOMAIN COMPLEXED WITH A POTENT SUBTYPE-SELECTIVE THYROMIMETIC
分子名称: Thyroid hormone receptor Beta-1, [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL
著者Dow, R.L, Schneider, S.R, Paight, E.S, Hank, R.F, Chiang, P, Cornelius, P, Lee, E, Newsome, W.P, Swick, A.G, Spitzer, J, Hargrove, D.M, Patterson, T.A, Pandit, J, Chrunyk, B.A, LeMotte, P.K, Danley, D.E, Rosner, M.H, Ammirati, M.J, Simons, S.P, Schulte, G.K, Tate, B.F, DaSilva-Jardine, P.
登録日2002-10-30
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Novel Series of 6-Azauracil-Based Thyroid Hormone Receptor Ligands: Potent, TRbeta Subtype-Selective Thyromimetics
Bioorg.Med.Chem.Lett., 13, 2003
2OUZ
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BU of 2ouz by Molmil
Crystal Structure of Estrogen Receptor alpha-lasofoxifene complex
分子名称: (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL, Estrogen receptor
著者Vajdos, F.F, Pandit, J.
登録日2007-02-12
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A crystal structure of the ER{alpha} ligand-binding domain complexed with lasofoxifene
Protein Sci., 16, 2007
1KZ8
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BU of 1kz8 by Molmil
CRYSTAL STRUCTURE OF PORCINE FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH A NOVEL ALLOSTERIC-SITE INHIBITOR
分子名称: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
著者Wright, S.W, Carlo, A.A, Carty, M.D, Danley, D.E, Hageman, D.L, Karam, G.A, Levy, C.B, Mansour, M.N, Mathiowetz, A.M, McClure, L.D, Nestor, N.B, McPherson, R.K, Pandit, J, Pustilnik, L.R, Schulte, G.K, Soeller, W.C, Treadway, J.L, Wang, I.-K, Bauer, P.H.
登録日2002-02-06
公開日2002-10-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ANILINOQUINAZOLINE INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE BIND AT A NOVEL ALLOSTERIC SITE: SYNTHESIS, IN VITRO CHARACTERIZATION, AND X-RAY CRYSTALLOGRAPHY
J.MED.CHEM., 45, 2002
1LEV
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BU of 1lev by Molmil
PORCINE KIDNEY FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH AN AMP-SITE INHIBITOR
分子名称: 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ...
著者Wright, S.W, Carlo, A.A, Danley, D.E, Hageman, D.L, Karam, G.A, Mansour, M.N, McClure, L.D, Pandit, J, Schulte, G.K, Treadway, J.L, Wang, I.-K, Bauer, P.H.
登録日2002-04-10
公開日2002-10-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid: an allosteric inhibitor of fructose-1,6-bisphosphatase at the AMP site.
Bioorg.Med.Chem.Lett., 13, 2003
1FA9
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HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE, LIVER FORM, ...
著者Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.N, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J.
登録日2000-07-12
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
1FC0
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BU of 1fc0 by Molmil
HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
分子名称: GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ...
著者Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.M, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J.
登録日2000-07-17
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
1EEM
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BU of 1eem by Molmil
GLUTATHIONE TRANSFERASE FROM HOMO SAPIENS
分子名称: GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE, SULFATE ION
著者Board, P, Coggan, M, Chelvanayagam, G, Easteal, S, Jermiin, L.S, Schulte, G.K, Danley, D.E, Hoth, L.R, Griffor, M.C, Kamath, A.V, Rosner, M.H, Chrunyk, B.A, Perregaux, D.E, Gabel, C.A, Geoghegan, K.F, Pandit, J.
登録日2000-02-01
公開日2000-08-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification, characterization, and crystal structure of the Omega class glutathione transferases.
J.Biol.Chem., 275, 2000
7OBN
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BU of 7obn by Molmil
Structural investigations of a new L3 DNA ligase: structure-function analysis
分子名称: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ...
著者Leiros, H.-K.S, Williamson, A.
登録日2021-04-23
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase.
Sci Rep, 11, 2021
3RQW
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BU of 3rqw by Molmil
Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ...
著者Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
登録日2011-04-28
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
3RQU
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Crystal structure of a prokaryotic pentameric ligand-gated ion channel, ELIC
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, GLYCEROL
著者Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
登録日2011-04-28
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.089 Å)
主引用文献Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012
4F8H
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BU of 4f8h by Molmil
X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel
分子名称: (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ...
著者Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P.
登録日2012-05-17
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine.
Structure, 20, 2012
6S3W
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BU of 6s3w by Molmil
Solution NMR Structure of TolAIII Bound to a Peptide Derived from the N-terminus of TolB
分子名称: Cell envelope integrity/translocation protein TolA, TolBp
著者Kleanthous, C, Redfield, C, Rajasekar, K, Holmes, P.
登録日2019-06-26
公開日2020-03-25
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献The lipoprotein Pal stabilises the bacterial outer membrane during constriction by a mobilisation-and-capture mechanism.
Nat Commun, 11, 2020
6IUI
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BU of 6iui by Molmil
Crystal structure of GIT1 PBD domain in complex with Paxillin LD4 motif
分子名称: ARF GTPase-activating protein GIT1, Paxillin
著者Liang, M, Wei, Z.
登録日2018-11-28
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
6IUH
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BU of 6iuh by Molmil
Crystal structure of GIT1 PBD domain in complex with Liprin-alpha2
分子名称: ARF GTPase-activating protein GIT1, IODIDE ION, Liprin-alpha-2
著者Liang, M, Wei, Z.
登録日2018-11-28
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics.
J. Biol. Chem., 294, 2019
6VXG
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BU of 6vxg by Molmil
Structure of the C-terminal Domain of RAGE and Its Inhibitor
分子名称: Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
著者Ramirez, L, Shekhtman, A.
登録日2020-02-21
公開日2021-02-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice.
Sci Transl Med, 13, 2021
7T7A
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BU of 7t7a by Molmil
Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein
分子名称: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION
著者Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J.
登録日2021-12-14
公開日2022-05-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
8XUQ
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BU of 8xuq by Molmil
Cryo-EM structure of tomato NRC2 tetramer
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2
著者Sun, Y, Ma, S.C, Chai, J.J.
登録日2024-01-14
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR.
Nature, 2024
8XUO
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BU of 8xuo by Molmil
Cryo-EM structure of tomato NRC2 dimer
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2
著者Sun, Y, Ma, S.C, Chai, J.J.
登録日2024-01-13
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR.
Nature, 2024
8XUV
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BU of 8xuv by Molmil
Cryo-EM structure of tomato NRC2 filament
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, NRC2
著者Sun, Y, Ma, S.C, Chai, J.J.
登録日2024-01-14
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Oligomerization-mediated autoinhibition and cofactor binding of a plant NLR.
Nature, 2024
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
4XUK
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BU of 4xuk by Molmil
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
分子名称: Putative hydrolase, ZINC ION
著者Chen, J, Xu, J.H, Zhou, J.H.
登録日2015-01-26
公開日2015-10-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Bioresour Bioprocess, 2015
7UP2
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NDM1-inhibitor co-structure
分子名称: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022

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