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206D
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BU of 206d by Molmil
BASE-PAIR OPENING AND SPERMINE BINDING-B-DNA FEATURES DISPLAYED IN THE CRYSTAL STRUCTURE OF A GAL OPERON FRAGMENT: IMPLICATIONS FOR PROTEIN-DNA RECOGNITION
Descriptor: DNA (5'-D(*CP*CP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*GP*G)-3'), SPERMINE
Authors:Tari, L.W, Secco, A.S.
Deposit date:1995-04-19
Release date:1996-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Base-pair opening and spermine binding--B-DNA features displayed in the crystal structure of a gal operon fragment: implications for protein-DNA recognition.
Nucleic Acids Res., 23, 1995
4B0Q
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BU of 4b0q by Molmil
Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
Descriptor: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1
Authors:Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N.
Deposit date:2012-07-04
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold
To be Published
4ASD
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BU of 4asd by Molmil
Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006)
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
Authors:McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
2DKB
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BU of 2dkb by Molmil
DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES
Descriptor: 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Toney, M.D, Hohenester, E, Jansonius, J.N.
Deposit date:1994-07-12
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites.
Science, 261, 1993
4AU3
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BU of 4au3 by Molmil
Crystal Structure of a Hsp47-collagen complex
Descriptor: 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ...
Authors:Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U.
Deposit date:2012-05-14
Release date:2012-08-15
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
5V6D
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BU of 5v6d by Molmil
Crystal structure of nucleoside diphosphate kinase from Neisseria gonorrhoeae in complex with citrate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Nucleoside diphosphate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-03-16
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of nucleoside diphosphate kinase from Neisseria gonorrhoeae in complex with citrate
To be Published
4B3V
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BU of 4b3v by Molmil
Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A.
Deposit date:2012-07-26
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
4AY9
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BU of 4ay9 by Molmil
Structure of follicle-stimulating hormone in complex with the entire ectodomain of its receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLLICLE-STIMULATING HORMONE RECEPTOR, FOLLITROPIN SUBUNIT BETA, ...
Authors:Jiang, X, Liu, H, Chen, X, He, X.
Deposit date:2012-06-19
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Follicle-Stimulating Hormone in Complex with the Entire Ectodomain of its Receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
294D
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BU of 294d by Molmil
INTERCALATED CYTOSINE MOTIF AND NOVEL ADENINE CLUSTERS IN THE CRYSTAL STRUCTURE OF TETRAHYMENA TELOMERE
Descriptor: DNA (5'-D(*AP*AP*CP*CP*CP*C)-3')
Authors:Cai, L, Chen, L, Raghavan, S, Ratliff, R, Moyzis, R, Rich, A.
Deposit date:1996-10-30
Release date:1998-10-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intercalated cytosine motif and novel adenine clusters in the crystal structure of the Tetrahymena telomere.
Nucleic Acids Res., 26, 1998
4AYF
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BU of 4ayf by Molmil
Crystal structure of the complex of the Caf1M:Caf1 chaperone:subunit preassembly complex carrying the Tyr40Ala mutation in the Caf1M chaperone
Descriptor: CHAPERONE PROTEIN CAF1M, F1 CAPSULE ANTIGEN
Authors:Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V.
Deposit date:2012-06-20
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
2DL2
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BU of 2dl2 by Molmil
KILLER IMMUNOGLOBULIN RECEPTOR 2DL2
Descriptor: PROTEIN (MHC CLASS I NK CELL RECEPTOR PRECURSOR (P58 NATURAL KILLER CELL RECEPTOR CLONE CL-43))
Authors:Sun, P, Snyder, G.
Deposit date:1999-03-08
Release date:1999-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the HLA-Cw3 allotype-specific killer cell inhibitory receptor KIR2DL2
Proc.Natl.Acad.Sci.USA, 96, 1999
2A0Y
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BU of 2a0y by Molmil
Structure of human purine nucleoside phosphorylase H257D mutant
Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION
Authors:Murkin, A.S, Shi, W, Schramm, V.L.
Deposit date:2005-06-17
Release date:2006-06-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
4B1C
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BU of 4b1c by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Descriptor: (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE
Authors:Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
Deposit date:2012-07-10
Release date:2012-10-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
2A3A
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BU of 2a3a by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline
Descriptor: SULFATE ION, THEOPHYLLINE, chitinase
Authors:Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
Deposit date:2005-06-24
Release date:2005-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2AAR
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BU of 2aar by Molmil
Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome.
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L29, ...
Authors:Baram, D, Pyetan, E, Sittner, A, Auerbach-Nevo, T, Bashan, A, Yonath, A.
Deposit date:2005-07-14
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome reveals its chaperone action
Proc.Natl.Acad.Sci.Usa, 102, 2005
4AYH
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BU of 4ayh by Molmil
The X-ray structure of zinc bound ZinT
Descriptor: METAL-BINDING PROTEIN YODA, SULFATE ION, ZINC ION
Authors:Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E.
Deposit date:2012-06-21
Release date:2013-07-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Biochim.Biophys.Acta, 1840, 2014
5UW5
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BU of 5uw5 by Molmil
PCY1 H695A Variant in Complex with Follower Peptide
Descriptor: CACODYLATE ION, CALCIUM ION, Peptide cyclase 1, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2017-02-20
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4ARN
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BU of 4arn by Molmil
Crystal structure of the N-terminal domain of Drosophila Toll receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ...
Authors:Gangloff, M, Gay, N.J.
Deposit date:2012-04-25
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Functional Insights from the Crystal Structure of the N-Terminal Domain of the Prototypical Toll Receptor.
Structure, 21, 2013
4AS8
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BU of 4as8 by Molmil
X-ray structure of the cyan fluorescent protein Cerulean cryoprotected with ethylene glycol
Descriptor: 1,2-ETHANEDIOL, GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
Authors:von Stetten, D, Batot, G, Noirclerc-Savoye, M, Royant, A.
Deposit date:2012-04-29
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Alteration of Fluorescent Protein Spectroscopic Properties Upon Cryoprotection
Acta Crystallogr.,Sect.D, 68, 2012
5UND
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BU of 5und by Molmil
Crystal Structure of CTCF(ZnF 4-10) With 28-mer DNA
Descriptor: 1,2-ETHANEDIOL, DNA (26-MER), GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-01-30
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
4B5Y
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BU of 4b5y by Molmil
X-ray structure of the cyan fluorescent protein mTurquoise-GL (K206A mutant) in space group C222(1)
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:von Stetten, D, Lelimousin, M, Oost, K, Noirclerc-Savoye, M, Gadella, T.W.J, Goedhart, J, Royant, A.
Deposit date:2012-08-08
Release date:2013-08-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Influence of the H148G Mutation on Fluorescence Properties of Cyan Fluorescent Proteins
To be Published
5UO8
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BU of 5uo8 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
2AFI
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BU of 2afi by Molmil
Crystal Structure of MgADP bound Av2-Av1 Complex
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Tezcan, F.A, Kaiser, J.T, Mustafi, D, Walton, M.Y, Howard, J.B, Rees, D.C.
Deposit date:2005-07-25
Release date:2005-09-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nitrogenase Complexes: Multiple Docking Sites for a Nucleotide Switch Protein
Science, 309, 2005
4AW4
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BU of 4aw4 by Molmil
Engineered variant of Listeria monocytogenes InlB internalin domain with an additional leucine rich repeat inserted
Descriptor: GLYCEROL, INTERNALIN B, SULFATE ION
Authors:Niemann, H.H, Heinz, D.W.
Deposit date:2012-05-31
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Engineered Variants of Inlb with an Additional Leucine-Rich Repeat Discriminate between Physiologically Relevant and Packing Contacts in Crystal Structures of the Inlb:Met Complex.
Protein Sci., 21, 2012
4B78
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BU of 4b78 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013

224004

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