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9AVG
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BU of 9avg by Molmil
Structure of human calcium-sensing receptor in complex with chimeric Gs (miniGis) protein in nanodiscs
分子名称: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 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Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
登録日2024-03-02
公開日2024-04-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
1GWW
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ALPHA-,1,3 GALACTOSYLTRANSFERASE - ALPHA-D-GLUCOSE COMPLEX
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R.
登録日2002-03-26
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
1HF6
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ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE ORTHORHOMBIC CRYSTAL FORM IN COMPLEX WITH CELLOTRIOSE
分子名称: ACETIC ACID, ENDOGLUCANASE B, GLYCEROL, ...
著者Varrot, A, Withers, S, Vasella, A, Schulein, M, Davies, G.J.
登録日2000-11-29
公開日2001-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Direct Experimental Observation of the Hydrogen-Bonding Network of a Glycosidase Along its Reaction Coordinate Revealed by Atomic Resolution Analyses of Endoglucanase Cel5A
Acta Crystallogr.,Sect.D, 59, 2003
1H11
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BU of 1h11 by Molmil
2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION
分子名称: ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ...
著者Varrot, A, Davies, G.J.
登録日2002-07-01
公開日2002-08-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Direct Experimental Observation of the Hydrogen-Bonding Network of a Glycosidase Along its Reaction Coordinate Revealed by Atomic Resolution Analyses of Endoglucanase Cel5A
Acta Crystallogr.,Sect.D, 59, 2003
1HKC
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BU of 1hkc by Molmil
RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE
分子名称: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
著者Aleshin, A.E, Honzatko, R.B.
登録日1998-07-01
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate.
J.Mol.Biol., 282, 1998
1HKB
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, D-GLUCOSE 6-PHOSPHOTRANSFERASE, ...
著者Aleshin, A.E, Zeng, C, Burenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
登録日1997-12-01
公開日1998-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The mechanism of regulation of hexokinase: new insights from the crystal structure of recombinant human brain hexokinase complexed with glucose and glucose-6-phosphate.
Structure, 6, 1998
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8P7W
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Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2
分子名称: 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ATP-binding cassette sub-family G member 2, ...
著者Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P.
登録日2023-05-31
公開日2023-08-30
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
5WB7
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Crystal structure of the epidermal growth factor receptor extracellular region in complex with epiregulin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Freed, D.M, Bessman, N.J, Ferguson, K.M, Lemmon, M.A.
登録日2017-06-28
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.941 Å)
主引用文献EGFR Ligands Differentially Stabilize Receptor Dimers to Specify Signaling Kinetics.
Cell, 171, 2017
6ZYF
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BU of 6zyf by Molmil
Notum_Ghrelin complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-07-31
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
8OYH
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BU of 8oyh by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dahms, S.O, Brandstetter, H.
登録日2023-05-04
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
8P4M
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BU of 8p4m by Molmil
CryoEM structure of a C7-symmetrical GroEL7-GroES7 cage in presence of ADP-BeFx
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
著者Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
登録日2023-05-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8P4O
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CryoEM structure of a GroEL7-GroES7 cage with encapsulated ordered substrate MetK in the presence of ADP-BeFx
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
著者Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
登録日2023-05-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
7PRL
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BU of 7prl by Molmil
MUC2 D1 with Cu(II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
著者Reznik, N, Fass, D.
登録日2021-09-22
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Intestinal mucin is a chaperone of multivalent copper.
Cell, 185, 2022
1FIH
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BU of 1fih by Molmil
N-ACETYLGALACTOSAMINE BINDING MUTANT OF MANNOSE-BINDING PROTEIN A (QPDWG-HDRPY), COMPLEX WITH N-ACETYLGALACTOSAMINE
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Feinberg, H, Torgerson, D, Drickamer, K, Weis, W.I.
登録日2000-08-03
公開日2000-08-23
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of pH-dependent N-acetylgalactosamine binding by a functional mimic of the hepatocyte asialoglycoprotein receptor.
J.Biol.Chem., 275, 2000
8Q2W
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Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
分子名称: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2Q
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Crystal structure of YTHDC1 in complex with Compound 2b (YL_32)
分子名称: 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Li, Y, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q32
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Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
分子名称: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q38
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Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
分子名称: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4Q
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Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
分子名称: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2T
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Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
分子名称: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q33
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Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-03
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4V
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Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
分子名称: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4R
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Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
分子名称: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
著者Bedi, R.K, Zalesak, F, Caflisch, A.
登録日2023-08-07
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024

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