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1N3P
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BU of 1n3p by Molmil
Pterocarpus angolensis lectin in complex with sucrose
Descriptor: CALCIUM ION, MANGANESE (II) ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
Authors:Loris, R, Imberty, A, Beeckmans, S, Van Driessche, E, Read, J.S, Bouckaert, J, De Greve, H, Buts, L, Wyns, L.
Deposit date:2002-10-29
Release date:2002-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Pterocarpus angolensis lectin in complex with glucose, sucrose, and turanose
J.BIOL.CHEM., 278, 2003
1LRT
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BU of 1lrt by Molmil
CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRITRICHOMONAS FOETUS INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE: STRUCTURAL CHARACTERIZATION OF NAD+ SITE IN MICROBIAL ENZYME
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, ...
Authors:Gan, L, Petsko, G.A, Hedstrom, L.
Deposit date:2002-05-15
Release date:2003-07-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis
Biochemistry, 41, 2003
5ZAS
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BU of 5zas by Molmil
Crystal structure of 5-formylcytosine containing decamer dsDNA
Descriptor: BICARBONATE ION, DNA (5'-D(*CP*CP*AP*GP*(5FC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R, Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
2EYT
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BU of 2eyt by Molmil
A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
Descriptor: NKT15
Authors:Kjer-Nielsen, L, Borg, N.A.
Deposit date:2005-11-09
Release date:2006-03-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition
J.Exp.Med., 203, 2006
1KS0
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BU of 1ks0 by Molmil
The First Fibronectin Type II Module from Human Matrix Metalloproteinase 2
Descriptor: Matrix Metalloproteinase 2
Authors:Gehrmann, M, Briknarova, K, Banyai, L, Patthy, L, Llinas, M.
Deposit date:2002-01-10
Release date:2002-02-20
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The col-1 module of human matrix metalloproteinase-2 (MMP-2): structural/functional relatedness between gelatin-binding fibronectin type II modules and lysine-binding kringle domains.
Biol.Chem., 383, 2002
4OC7
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BU of 4oc7 by Molmil
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2
Descriptor: (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C.
Deposit date:2014-01-08
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A natural-product switch for a dynamic protein interface.
Angew.Chem.Int.Ed.Engl., 53, 2014
1NI1
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BU of 1ni1 by Molmil
Imidazole and cyanophenyl farnesyl transferase inhibitors
Descriptor: 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
Authors:Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L.
Deposit date:2002-12-20
Release date:2004-04-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
2GLP
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BU of 2glp by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
1NH6
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BU of 1nh6 by Molmil
Structure of S. marcescens chitinase A, E315L, complex with hexasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, chitinase A
Authors:Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Amable, L, Madura, J.D, Pasupulati, L, Worth, C, Van Roey, P.
Deposit date:2002-12-18
Release date:2003-03-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Family 18 chitinase-oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A.
Biochem.J., 376, 2003
1NA3
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BU of 1na3 by Molmil
Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Main, E, Xiong, Y, Cocco, M, D'Andrea, L, Regan, L.
Deposit date:2002-11-26
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Stable alpha-Helical Arrays from an Idealized TPR Motif
Structure, 11, 2003
1NF3
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BU of 1nf3 by Molmil
Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6
Descriptor: G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ...
Authors:Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R.
Deposit date:2002-12-12
Release date:2003-03-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6
Embo J., 22, 2003
2QQ2
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BU of 2qq2 by Molmil
Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7
Descriptor: Cytosolic acyl coenzyme A thioester hydrolase
Authors:Busam, R, Lehtio, L, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-07-26
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human acyl-CoA thioesterase 7.
To be Published
2G9N
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BU of 2g9n by Molmil
Structure of the DEAD domain of Human eukaryotic initiation factor 4A, eIF4A
Descriptor: Eukaryotic initiation factor 4A-I
Authors:Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-03-07
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2G5X
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BU of 2g5x by Molmil
Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
Descriptor: Ribosome-inactivating protein
Authors:Fermani, S, Falini, G, Tosi, G, Ripamonti, A, Polito, L, Bolognesi, A, Stirpe, F.
Deposit date:2006-02-23
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
To be Published
2PEG
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BU of 2peg by Molmil
Crystal structure of Trematomus bernacchii hemoglobin in a partial hemichrome state
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vergara, A, Franzese, M, Merlino, A, Vitagliano, L, Mazzarella, L.
Deposit date:2007-04-03
Release date:2007-07-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural characterization of ferric hemoglobins from three antarctic fish species of the suborder notothenioidei.
Biophys.J., 93, 2007
2GLV
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BU of 2glv by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2H3C
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BU of 2h3c by Molmil
Structural basis for nucleic acid and toxin recognition of the bacterial antitoxin CcdA
Descriptor: 5'-D(P*AP*TP*AP*TP*GP*TP*AP*TP*AP*CP*CP*CP*G)-3', 5'-D(P*TP*CP*GP*GP*GP*TP*AP*TP*AP*CP*AP*TP*A)-3', CcdA
Authors:Madl, T, Van Melderen, L, Respondek, M, Oberer, M, Keller, W, Zangger, K.
Deposit date:2006-05-22
Release date:2006-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Basis for Nucleic Acid and Toxin Recognition of the Bacterial Antitoxin CcdA
J.Mol.Biol., 364, 2006
2GLL
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BU of 2gll by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
1CC0
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BU of 1cc0 by Molmil
CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ...
Authors:Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
Deposit date:1999-03-03
Release date:2000-01-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:How RhoGDI binds Rho.
Acta Crystallogr.,Sect.D, 55, 1999
1CA9
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BU of 1ca9 by Molmil
STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A PEPTIDE FROM TNF-R2
Descriptor: PROTEIN (TNF RECEPTOR ASSOCIATED FACTOR 2), PROTEIN (TNF-R2)
Authors:Park, Y.C, Burkitt, V, Villa, A.R, Tong, L, Wu, H.
Deposit date:1999-02-25
Release date:1999-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for self-association and receptor recognition of human TRAF2.
Nature, 398, 1999
5A7Y
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BU of 5a7y by Molmil
Crystal structure of Sulfolobus acidocaldarius Trm10 in complex with S-adenosylhomocysteine
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Van Laer, B, Roovers, M, Wauters, L, Kasprzak, J, Dyzma, M, Deyaert, E, Feller, A, Bujnicki, J, Droogmans, L, Versees, W.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Insights Into tRNA Binding and Adenosine N1-Methylation by an Archaeal Trm10 Homologue.
Nucleic Acids Res., 44, 2016
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
6AEX
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BU of 6aex by Molmil
Crystal structure of unoccupied murine uPAR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Min, L, Huang, M.
Deposit date:2018-08-06
Release date:2019-07-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Crystal structure of the unoccupied murine urokinase-type plasminogen activator receptor (uPAR) reveals a tightly packed DII-DIII unit.
Febs Lett., 593, 2019
1BK2
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BU of 1bk2 by Molmil
A-SPECTRIN SH3 DOMAIN D48G MUTANT
Descriptor: A-SPECTRIN
Authors:Martinez, J.C, Pisabarro, M.T, Serrano, L.
Deposit date:1998-07-14
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Obligatory steps in protein folding and the conformational diversity of the transition state.
Nat.Struct.Biol., 5, 1998
1BLK
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BU of 1blk by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN USING CHEMICAL SHIFT REFINEMENT, 20 STRUCTURES
Descriptor: P55 BLK PROTEIN TYROSINE KINASE
Authors:Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
Deposit date:1996-03-26
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996

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