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3RU4
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BU of 3ru4 by Molmil
Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ...
著者Esteves, G.F, Santos, C.R, Ventura, M.M, Barbosa, J.A.R.G, Freitas, S.M.
登録日2011-05-04
公開日2012-08-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
To be Published
1OAD
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BU of 1oad by Molmil
Glucose isomerase from Streptomyces rubiginosus in P21212 crystal form
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Ramagopal, U.A, Dauter, M, Dauter, Z.
登録日2003-01-08
公開日2003-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sad Manganese in Two Crystal Forms of Glucose Isomerase
Acta Crystallogr.,Sect.D, 59, 2003
3WL2
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BU of 3wl2 by Molmil
Monoclinic Lysozyme at 0.96 A resolution
分子名称: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
著者Matsumoto, T, Yamano, A, Hasegawa, T, Maeyama, M.
登録日2013-11-06
公開日2014-11-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Evaluation of Rigaku XtaLAB P200
To be Published
1QJX
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BU of 1qjx by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND WIN68934
分子名称: 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ...
著者Hadfield, A.T, Diana, G.D, Rossmann, M.G.
登録日1999-07-06
公開日1999-07-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
3S3Q
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BU of 3s3q by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor
分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-05-18
公開日2011-08-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
2ASF
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BU of 2asf by Molmil
Crystal structure of the conserved hypothetical protein Rv2074 from Mycobacterium tuberculosis 1.6 A
分子名称: CITRIC ACID, Hypothetical protein Rv2074, SODIUM ION
著者Biswal, B.K, Au, K, Cherney, M.M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2005-08-23
公開日2005-10-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The molecular structure of Rv2074, a probable pyridoxine 5'-phosphate oxidase from Mycobacterium tuberculosis, at 1.6 angstroms resolution.
Acta Crystallogr.,Sect.F, 62, 2006
3N1W
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BU of 3n1w by Molmil
Human FPPS COMPLEX WITH FBS_02
分子名称: (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
3CNH
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BU of 3cnh by Molmil
Crystal structure of predicted hydrolase of haloacid dehalogenase-like superfamily (NP_295428.1) from Deinococcus radiodurans at 1.66 A resolution
分子名称: GLYCEROL, Hydrolase family protein, PHOSPHATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-03-25
公開日2008-04-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of predicted hydrolase of haloacid dehalogenase-like superfamily (NP_295428.1) from Deinococcus radiodurans at 1.66 A resolution
To be published
2WDB
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BU of 2wdb by Molmil
A family 32 carbohydrate-binding module, from the Mu toxin produced by Clostridium perfringens, in complex with beta-D-glcNAc-beta(1,2) mannose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, HYALURONOGLUCOSAMINIDASE
著者Ficko-Blean, E, Boraston, A.B.
登録日2009-03-23
公開日2009-05-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献N-Acetylglucosamine Recognition by a Family 32 Carbohydrate-Binding Module from Clostridium Perfringens Nagh.
J.Mol.Biol., 390, 2009
1HFF
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BU of 1hff by Molmil
NMR solution structures of the vMIP-II 1-10 peptide from Kaposi's sarcoma-associated herpesvirus.
分子名称: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
著者Crump, M.P, Elisseeva, E, Gong, J.H, Clark-Lewis, I, Sykes, B.D.
登録日2000-12-01
公開日2000-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
1HFG
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BU of 1hfg by Molmil
NMR solution structure of vMIP-II 1-71 from Kaposi's sarcoma-associated herpesvirus (minimized average structure).
分子名称: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
著者Crump, M.P, Elisseeva, E, Gong, J.-H, Clark-Lewis, I, Sykes, B.D.
登録日2000-12-01
公開日2001-01-07
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
3CR4
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BU of 3cr4 by Molmil
X-ray structure of bovine Pnt,Ca(2+)-S100B
分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, Protein S100-B
著者Charpentier, T.H.
登録日2008-04-04
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
J.Mol.Biol., 382, 2008
2QEU
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BU of 2qeu by Molmil
Crystal structure of putative carboxymuconolactone decarboxylase (YP_555818.1) from Burkholderia xenovorans LB400 at 1.65 A resolution
分子名称: ACETATE ION, CITRIC ACID, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-26
公開日2007-07-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Putative carboxymuconolactone decarboxylase (YP_555818.1) from Burkholderia xenovorans LB400 at 1.65 A resolution
To be published
3UV5
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BU of 3uv5 by Molmil
Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-01-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3V4Y
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BU of 3v4y by Molmil
Crystal Structure of the first Nuclear PP1 holoenzyme
分子名称: GLYCEROL, MANGANESE (II) ION, Nuclear inhibitor of protein phosphatase 1, ...
著者Page, R, Peti, W, O'Connell, N.E, Nichols, S.
登録日2011-12-15
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献The Molecular Basis for Substrate Specificity of the Nuclear NIPP1:PP1 Holoenzyme.
Structure, 20, 2012
7JJG
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BU of 7jjg by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20
分子名称: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, GLYCEROL, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-07-25
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
2QNP
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BU of 2qnp by Molmil
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
4HKL
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BU of 4hkl by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
1GOO
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BU of 1goo by Molmil
Thermostable xylanase I from Thermoascus aurantiacus - Cryocooled glycerol complex
分子名称: ENDO-1,4-BETA-XYLANASE, GLYCEROL
著者Eckert, K, Andrei, C, Larsen, S, Lo Leggio, L.
登録日2001-10-22
公開日2001-12-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A
FEBS Lett., 509, 2001
3N1V
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BU of 3n1v by Molmil
Human FPPS COMPLEX WITH FBS_01
分子名称: (5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-17
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
1LPP
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BU of 1lpp by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
分子名称: 1-HEXADECANOSULFONIC ACID, 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Grochulski, P.G, Cygler, M.C.
登録日1995-01-17
公開日1995-04-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
1H95
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BU of 1h95 by Molmil
Solution structure of the single-stranded DNA-binding Cold Shock Domain (CSD) of human Y-box protein 1 (YB1) determined by NMR (10 lowest energy structures)
分子名称: Y-BOX BINDING PROTEIN
著者Kloks, C.P.A.M, Spronk, C.A.E.M, Hoffmann, A, Vuister, G.W, Grzesiek, S, Hilbers, C.W.
登録日2001-02-23
公開日2002-02-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Solution Structure and DNA-Binding Properties of the Cold-Shock Domain of the Human Y-Box Protein Yb-1.
J.Mol.Biol., 316, 2002
2CFZ
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BU of 2cfz by Molmil
Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-dodecanol
分子名称: 1-DODECANOL, DI(HYDROXYETHYL)ETHER, SDS HYDROLASE SDSA1, ...
著者Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D.
登録日2006-02-26
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
7JSP
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BU of 7jsp by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
分子名称: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-08-15
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7JKY
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Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-126
分子名称: Bromodomain-containing protein 4, N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide, SODIUM ION
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2020-07-29
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020

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