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PDB: 492 件
2Y5K
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Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
分子名称: 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1
著者Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E.
登録日2011-01-14
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
2Y5L
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orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase
分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
著者ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e.
登録日2011-01-14
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
2XJQ
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BU of 2xjq by Molmil
X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae
分子名称: CHLORIDE ION, FLOCCULATION PROTEIN FLO5, GLYCEROL, ...
著者Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O.
登録日2010-07-06
公開日2010-12-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
2WRZ
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Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state
分子名称: L-ARABINOSE-BINDING PERIPLASMIC PROTEIN
著者Schreier, B, Stumpp, C, Wiesner, S, Hocker, B.
登録日2009-09-03
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
2XJR
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X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D2-D3)
分子名称: CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ...
著者Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O.
登録日2010-07-06
公開日2010-12-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
4AJD
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BU of 4ajd by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
2XJT
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X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and Man5(D1)
分子名称: CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ...
著者Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O.
登録日2010-07-06
公開日2010-12-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
4AU8
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Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
分子名称: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
著者Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
登録日2012-05-14
公開日2013-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4AJF
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BU of 4ajf by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4A2S
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BU of 4a2s by Molmil
Structure of the engineered retro-aldolase RA95.5
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-28
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
2VA5
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X-ray crystal structure of beta secretase complexed with compound 8c
分子名称: 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION
著者Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G.
登録日2007-08-30
公開日2007-11-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
2VA7
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BU of 2va7 by Molmil
X-ray crystal structure of beta secretase complexed with compound 27
分子名称: (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION
著者Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G.
登録日2007-08-30
公開日2007-11-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
2VA6
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BU of 2va6 by Molmil
X-ray crystal structure of beta secretase complexed with compound 24
分子名称: (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION
著者Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G.
登録日2007-08-30
公開日2007-11-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
3CD2
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BU of 3cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
登録日1999-03-16
公開日2000-03-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
3S96
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Crystal structure of 3B5H10
分子名称: 3B5H10 FAB heavy chain, 3B5H10 FAB light chain
著者Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S.
登録日2011-05-31
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure.
J.Mol.Biol., 421, 2012
2V5G
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Crystal structure of the mutated N263A YscU C-terminal domain
分子名称: CHLORIDE ION, YSCU
著者Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W.
登録日2008-10-06
公開日2008-11-04
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica
J.Mol.Biol., 385, 2009
2HZS
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BU of 2hzs by Molmil
Structure of the Mediator head submodule Med8C/18/20
分子名称: RNA polymerase II mediator complex subunit 18, RNA polymerase II mediator complex subunit 20, RNA polymerase II mediator complex subunit 8
著者Lariviere, L, Geiger, S, Hoeppner, S, Rother, S, Straesser, K, Cramer, P.
登録日2006-08-09
公開日2006-09-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and TBP binding of the Mediator head subcomplex Med8-Med18-Med20.
Nat.Struct.Mol.Biol., 13, 2006
2HZM
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Structure of the Mediator head subcomplex Med18/20
分子名称: PHOSPHATE ION, RNA polymerase II mediator complex subunit 18, RNA polymerase II mediator complex subunit 20
著者Lariviere, L, Geiger, S, Hoeppner, S, Rother, S, Straesser, K, Cramer, P.
登録日2006-08-09
公開日2006-09-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and TBP binding of the Mediator head subcomplex Med8-Med18-Med20.
Nat.Struct.Mol.Biol., 13, 2006
6QZJ
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BU of 6qzj by Molmil
Crystal structure of human Aquaporin 7 at 2.2 A resolution
分子名称: Aquaporin-7, GLYCEROL, PHOSPHATE ION
著者de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K.
登録日2019-03-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
6QZI
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Crystal structure of human Aquaporin 7 at 1.9 A resolution
分子名称: Aquaporin-7, GLYCEROL, PHOSPHATE ION
著者de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K.
登録日2019-03-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
5SWW
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BU of 5sww by Molmil
Crystal Structure of Human APOBEC3A complexed with ssDNA
分子名称: DNA 15-Mer, DNA dC->dU-editing enzyme APOBEC-3A, GLYCEROL, ...
著者Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
登録日2016-08-09
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
5TD5
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BU of 5td5 by Molmil
Crystal Structure of Human APOBEC3B variant complexed with ssDNA
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ...
著者Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
登録日2016-09-16
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
1POZ
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BU of 1poz by Molmil
SOLUTION STRUCTURE OF THE HYALURONAN BINDING DOMAIN OF HUMAN CD44
分子名称: CD44 antigen
著者Teriete, P, Banerji, S, Blundell, C.D, Kahmann, J.D, Pickford, A.R, Wright, A.J, Campbell, I.D, Jackson, D.G, Day, A.J.
登録日2003-06-16
公開日2004-03-16
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Structure of the Regulatory Hyaluronan Binding Domain in the Inflammatory Leukocyte Homing Receptor CD44.
Mol.Cell, 13, 2004
5U8Y
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Crystal structure of Co-CAO1
分子名称: COBALT (II) ION, Carotenoid oxygenase 1
著者Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D.
登録日2016-12-15
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
Biochemistry, 56, 2017
1RJ1
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Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco
分子名称: invertase inhibitor
著者Hothorn, M, D'Angelo, I, Marquez, J.A, Greiner, S, Scheffzek, K.
登録日2003-11-18
公開日2004-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The invertase inhibitor Nt-CIF from tobacco: a highly thermostable four-helix bundle with an unusual N-terminal extension
J.Mol.Biol., 335, 2004

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