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1FPL
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FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND THALLIUM IONS (10 MM)
分子名称: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
著者Villeret, V, Lipscomb, W.N.
登録日1995-06-02
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
5U7Q
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Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
分子名称: Rho-associated protein kinase 2
著者Hoffman, I.D.
登録日2016-12-12
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones.
Bioorg. Med. Chem., 25, 2017
4D6E
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Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X01 mutant)
分子名称: 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ...
著者Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G.
登録日2014-11-11
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
2WNR
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BU of 2wnr by Molmil
The structure of Methanothermobacter thermautotrophicus exosome core assembly
分子名称: PHOSPHATE ION, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, PROBABLE EXOSOME COMPLEX EXONUCLEASE 2
著者Ng, C.L, Waterman, D.G, Antson, A.A, Ortiz-Lombardia, M.
登録日2009-07-19
公開日2010-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the Methanothermobacter Thermautotrophicus Exosome Rnase Ph Ring
Acta Crystallogr.,Sect.D, 66, 2010
3NW8
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Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH
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, CHLORIDE ION, ...
著者Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E.
登録日2010-07-09
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75915 Å)
主引用文献Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
J.Virol., 84, 2010
4D9B
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Pyridoxamine 5' phosphate (PMP) bound form of Salmonella typhimurium D-Cysteine desulfhydrase obtained after co-crystallization with D-cycloserine
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, ...
著者Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
登録日2012-01-11
公開日2012-05-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
1FKL
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ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX
分子名称: FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1FKJ
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ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
3FBX
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Crystal structure of the lysosomal 66.3 kDa protein from mouse solved by S-SAD
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, ACETATE ION, ...
著者Lakomek, K, Dickmanns, A, Mueller, U, Ficner, R.
登録日2008-11-20
公開日2009-03-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse
Acta Crystallogr.,Sect.D, 65, 2009
4Q1U
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Serum paraoxonase-1 by directed evolution with the K192Q mutation
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2014-04-04
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
1QKQ
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CHARCOT-LEYDEN CRYSTAL PROTEIN - MANNOSE COMPLEX
分子名称: EOSINOPHIL LYSOPHOSPHOLIPASE, alpha-D-mannopyranose
著者Swaminathan, G.J, Leonidas, D.D, Acharya, K.R.
登録日1999-07-31
公開日2000-01-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective recognition of mannose by the human eosinophil Charcot-Leyden crystal protein (galectin-10): a crystallographic study at 1.8 A resolution.
Biochemistry, 38, 1999
1G3V
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CRYSTAL STRUCTURE OF NICKEL-D[CGTGTACACG]2
分子名称: 5'-D(*CP*GP*TP*GP*TP*AP*CP*AP*CP*G)-3', NICKEL (II) ION
著者Subirana, J.A, Abrescia, N.G.A.
登録日2000-10-25
公開日2002-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Nickel-guanine interactions in DNA: crystal structure of nickel-d[CGTGTACACG]2.
J.Biol.Inorg.Chem., 7, 2002
1FZX
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BU of 1fzx by Molmil
NMR SOLUTION STRUCTURE OF THE DNA DODECAMER GGCAAAAAACGG
分子名称: 5'-D(*CP*CP*GP*TP*TP*TP*TP*TP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*AP*AP*AP*AP*AP*CP*GP*G)-3'
著者MacDonald, D, Herbert, K, Zhang, X, Pologruto, T, Lu, P.
登録日2000-10-04
公開日2001-03-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of an A-tract DNA bend.
J.Mol.Biol., 306, 2001
7L84
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Hen Egg White Lysozyme by Native S-SAD at Room Temperature
分子名称: Lysozyme C
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2020-12-30
公開日2021-01-13
最終更新日2022-08-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
3NWD
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BU of 3nwd by Molmil
Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, low-pH
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, CHLORIDE ION, ...
著者Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E.
登録日2010-07-09
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8803 Å)
主引用文献Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
J.Virol., 84, 2010
1QHA
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HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP
分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Rosano, C, Sabini, E, Deriu, D, Magnani, M, Bolognesi, M.
登録日1999-05-11
公開日1999-11-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control.
Structure Fold.Des., 7, 1999
3W4I
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BU of 3w4i by Molmil
Crystal Structure of human DAAO in complex with coumpound 8
分子名称: D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, pyridine-2,3-diol
著者Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M.
登録日2013-01-09
公開日2013-05-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors.
J.Med.Chem., 56, 2013
4LB9
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X-ray study of human serum albumin complexed with etoposide
分子名称: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN
著者Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
登録日2013-06-20
公開日2013-07-24
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
3TH0
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P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide
分子名称: Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
著者Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
登録日2011-08-18
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers.
Glycobiology, 23, 2013
4IW2
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HSA-glucose complex
分子名称: D-glucose, PHOSPHATE ION, Serum albumin, ...
著者Wang, Y, Yu, H, Shi, X, Luo, Z, Huang, M.
登録日2013-01-23
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
5BYZ
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ERK5 in complex with small molecule
分子名称: 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7
著者Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D.
登録日2015-06-11
公開日2016-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
6A69
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Cryo-EM structure of a P-type ATPase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroplastin, Plasma membrane calcium-transporting ATPase 1
著者Gong, D.S, Chi, X.M, Ren, K, Huang, G.X.Y, Zhou, G.W, Yan, N, Lei, J.L, Zhou, Q.
登録日2018-06-27
公開日2018-09-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.11 Å)
主引用文献Structure of the human plasma membrane Ca2+-ATPase 1 in complex with its obligatory subunit neuroplastin.
Nat Commun, 9, 2018
1BOS
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BU of 1bos by Molmil
SHIGA-LIKE TOXIN COMPLEXED WITH ITS RECEPTOR
分子名称: SHIGA-LIKE TOXIN I B SUBUNIT, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Ling, H, Boodhoo, A, Hazes, B, Cummings, M.D, Armstrong, G.D, Brunton, J.L, Read, R.J.
登録日1998-01-13
公開日1999-02-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the shiga-like toxin I B-pentamer complexed with an analogue of its receptor Gb3.
Biochemistry, 37, 1998
2WXJ
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The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654.
分子名称: N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L.
登録日2009-11-09
公開日2010-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
5UJ2
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Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU
分子名称: (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ...
著者Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E.
登録日2017-01-16
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017

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