1IDI
 
 | | THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN | | Descriptor: | ALPHA-BUNGAROTOXIN | | Authors: | Zeng, H, Moise, L, Grant, M.A, Hawrot, E. | | Deposit date: | 2001-04-04 | | Release date: | 2001-04-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the complex formed between alpha-bungarotoxin and an 18-mer cognate peptide derived from the alpha 1 subunit of the nicotinic acetylcholine receptor from Torpedo californica.
J.Biol.Chem., 276, 2001
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1IGN
 | | DNA-BINDING DOMAIN OF RAP1 IN COMPLEX WITH TELOMERIC DNA SITE | | Descriptor: | DNA (5'-D(*CP*CP*GP*CP*AP*CP*AP*CP*CP*CP*AP*CP*AP*CP*AP*CP*C P*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G P*CP*G)-3'), PROTEIN (RAP1) | | Authors: | Koenig, P, Giraldo, R, Chapman, L, Rhodes, D. | | Deposit date: | 1996-02-29 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The crystal structure of the DNA-binding domain of yeast RAP1 in complex with telomeric DNA.
Cell(Cambridge,Mass.), 85, 1996
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4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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6Z1C
 | | Crystal structure of Arabidopsis thaliana CK2-alpha-1 in complex with TTP-22 | | Descriptor: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha-1 | | Authors: | Demulder, M, Loris, R, De Veylder, L. | | Deposit date: | 2020-05-13 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Arabidopsis casein kinase 2 triggers stem cell exhaustion under Al toxicity and phosphate deficiency through activating the DNA damage response pathway.
Plant Cell, 33, 2021
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1J7H
 | | Solution Structure of HI0719, a Hypothetical Protein From Haemophilus Influenzae | | Descriptor: | HYPOTHETICAL PROTEIN HI0719 | | Authors: | Parsons, L, Bonander, N, Eisenstein, E, Gilson, M, Kairys, V, Orban, J, Structure 2 Function Project (S2F) | | Deposit date: | 2001-05-16 | | Release date: | 2003-02-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Functional Ligand Screening of HI0719, a Highly Conserved Protein from Bacteria to Humans in the YjgF/YER057c/UK114 Family
Biochemistry, 42, 2003
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1IDH
 | | THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE | | Descriptor: | ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA CHAIN, ALPHA-BUNGAROTOXIN | | Authors: | Zeng, H, Moise, L, Grant, M.A, Hawrot, E. | | Deposit date: | 2001-04-04 | | Release date: | 2001-04-25 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the complex formed between alpha-bungarotoxin and an 18-mer cognate peptide derived from the alpha 1 subunit of the nicotinic acetylcholine receptor from Torpedo californica.
J.Biol.Chem., 276, 2001
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1IH8
 | | NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. | | Deposit date: | 2001-04-18 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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1IMR
 | | MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG) | | Descriptor: | 4'-DEOXY-4'-IODODOXORUBICIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') | | Authors: | Berger, I, Su, L, Spitzner, J.R, Kang, C, Burke, T.G, Rich, A. | | Deposit date: | 1995-10-23 | | Release date: | 1996-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG).
Nucleic Acids Res., 23, 1995
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1IDQ
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1IH0
 | | Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033 | | Descriptor: | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE, CALCIUM ION, TROPONIN C, ... | | Authors: | Wang, X, Li, M.X, Spyracopoulos, L, Beier, N, Chandra, M, Solaro, R.J, Sykes, B.D. | | Deposit date: | 2001-04-18 | | Release date: | 2001-10-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033.
J.Biol.Chem., 276, 2001
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1J6Q
 | | Solution structure and characterization of the heme chaperone CcmE | | Descriptor: | cytochrome c maturation protein E | | Authors: | Arnesano, F, Banci, L, Barker, P.D, Bertini, I, Rosato, A, Su, X.C, Viezzoli, M.S. | | Deposit date: | 2002-04-30 | | Release date: | 2002-12-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and characterization of the heme chaperone CcmE
Biochemistry, 41, 2002
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1IK9
 | | CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX | | Descriptor: | DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4 | | Authors: | Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L. | | Deposit date: | 2001-05-03 | | Release date: | 2001-11-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an Xrcc4-DNA ligase IV complex.
Nat.Struct.Biol., 8, 2001
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3LY5
 | | DDX18 dead-domain | | Descriptor: | ATP-dependent RNA helicase DDX18, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-26 | | Release date: | 2010-05-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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1IMH
 | | TonEBP/DNA COMPLEX | | Descriptor: | 5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*TP*TP*CP*CP*AP*GP*C)-3', 5'-D(*TP*TP*GP*CP*TP*GP*GP*AP*AP*AP*AP*AP*TP*AP*G)-3', NUCLEAR FACTOR OF ACTIVATED T CELLS 5 | | Authors: | Stroud, J.C, Lopez-Rodriguez, C, Rao, A, Chen, L. | | Deposit date: | 2001-05-10 | | Release date: | 2002-02-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structure of a TonEBP-DNA complex reveals DNA encircled by a transcription factor.
Nat.Struct.Biol., 9, 2002
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1IFX
 | | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD | | Descriptor: | NH(3)-DEPENDENT NAD(+) SYNTHETASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | | Deposit date: | 2001-04-13 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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1II7
 | | Crystal structure of P. furiosus Mre11 with manganese and dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mre11 nuclease, ... | | Authors: | Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A. | | Deposit date: | 2001-04-20 | | Release date: | 2001-05-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase.
Cell(Cambridge,Mass.), 105, 2001
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4H1Q
 | | Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | Deposit date: | 2012-09-11 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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2FTE
 | | Bacteriophage HK97 Expansion Intermediate IV | | Descriptor: | major capsid protein | | Authors: | Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E. | | Deposit date: | 2006-01-24 | | Release date: | 2006-02-07 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY | | Cite: | Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
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1IUA
 | | Ultra-high resolution structure of HiPIP from Thermochromatium tepidum | | Descriptor: | High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Liu, L, Nogi, T, Kobayashi, M, Nozawa, T, Miki, K. | | Deposit date: | 2002-03-01 | | Release date: | 2002-03-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Ultrahigh-resolution structure of high-potential iron-sulfur protein from Thermochromatium tepidum.
Acta Crystallogr.,Sect.D, 58, 2002
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1J74
 | | Crystal Structure of Mms2 | | Descriptor: | MMS2 | | Authors: | Moraes, T.F, Edwards, R.A, McKenna, S, Pastushok, L, Xiao, W, Glover, J.N.M, Ellison, M.J. | | Deposit date: | 2001-05-15 | | Release date: | 2001-08-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the human ubiquitin conjugating enzyme complex, hMms2-hUbc13.
Nat.Struct.Biol., 8, 2001
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1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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4H2E
 | | Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains | | Descriptor: | ACETATE ION, BICINE, CALCIUM ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | Deposit date: | 2012-09-12 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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2GFT
 | | Crystal structure of the E263A nucleophile mutant of Bacillus licheniformis endo-beta-1,4-galactanase in complex with galactotriose | | Descriptor: | CALCIUM ION, Glycosyl Hydrolase Family 53, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | | Authors: | Welner, D, Le Nours, J, De Maria, L, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | | Deposit date: | 2006-03-23 | | Release date: | 2006-06-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oligosaccharide binding of Bacillus licheniformis endo-beta-1,4-galactanase
To be Published
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4UWH
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4UWF
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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