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4Q4Y
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Crystal structure of Coxsackievirus A24v soaked with Disialyllacto-N-tetraose (DSLNT)
Descriptor: CALCIUM ION, CHLORIDE ION, Coxsackievirus capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2014-04-15
Release date:2014-11-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4Q4X
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Crystal structure of Coxsackievirus A24v soaked with 6'-Sialyllactose (6SL)
Descriptor: CALCIUM ION, CHLORIDE ION, Coxsackievirus capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2014-04-15
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4Q6R
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BU of 4q6r by Molmil
Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Descriptor: 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivas, H.
Deposit date:2014-04-23
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis.
J.Med.Chem., 57, 2014
4OQR
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Structure of a CYP105AS1 mutant in complex with compactin
Descriptor: CYP105AS1, Mevastatin, Compactin, ...
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OP2
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GKRP bound to AMG-0471 and Sorbitol-6-Phosphate
Descriptor: (2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-02-04
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
4OZH
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BU of 4ozh by Molmil
S16 protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ...
Authors:Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2014-02-16
Release date:2014-04-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
4OFF
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BU of 4off by Molmil
Crystal structure of apo carboxy cGMP binding domain of Plasmodium falciparum PKG
Descriptor: CGMP-dependent protein kinase, SULFATE ION
Authors:Kim, J.J, Sanabria figueroa, E, Kim, C.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress.
Plos Pathog., 11, 2015
4OFG
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BU of 4ofg by Molmil
Co-crystal structure of carboxy cGMP binding domain of Plasmodium falciparum PKG with cGMP
Descriptor: CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE, ETHANOL, ...
Authors:Kim, J.J, Sanabria figueroa, E, Kim, C.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress.
Plos Pathog., 11, 2015
4OB5
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BU of 4ob5 by Molmil
Ontogeny of recognition specificity and functionality for the broadly neutralizing anti-HIV antibody 4E10
Descriptor: 4E10 antibody germline precursor 7 heavy chain Fv, 4E10 antibody germline precursor 7 light chain Fv, GLYCEROL, ...
Authors:Jaffe, J.B, Rupert, P.B.
Deposit date:2014-01-06
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
4OLH
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BU of 4olh by Molmil
Human GKRP Bound to AMG5106 and Sorbitol-6-Phosphate
Descriptor: 2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-23
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket.
J.Med.Chem., 57, 2014
4PNW
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E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OVG
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BU of 4ovg by Molmil
E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4NUM
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BU of 4num by Molmil
Crystal structure of mouse N-cadherin EC1-2 A78SI92M
Descriptor: CALCIUM ION, Cadherin-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
Descriptor: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NXK
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BU of 4nxk by Molmil
Crystal structure of Abp-D197A, a catalytic mutant of a GH27-b-L-arabinopyranosidase from Geobacillus stearothermophilus
Descriptor: Abp, a GH27 beta-L-arabinopyranosidase, CITRIC ACID, ...
Authors:Lansky, S, Solomon, H.V, Salama, R, Belrhali, H, Shoham, Y, Shoham, G.
Deposit date:2013-12-09
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-specificity relationships in Abp, a GH27 beta-L-arabinopyranosidase from Geobacillus stearothermophilus T6
Acta Crystallogr.,Sect.D, 70, 2014
4NUQ
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BU of 4nuq by Molmil
Crystal structure of mouse N-cadherin EC1-2 W2F
Descriptor: CALCIUM ION, Cadherin-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.116 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QCI
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BU of 4qci by Molmil
PDGF-B blocking antibody bound to PDGF-BB
Descriptor: Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain
Authors:Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G.
Deposit date:2014-05-12
Release date:2015-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta.
Biochemistry, 54, 2015
4QEV
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BU of 4qev by Molmil
Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE)
Descriptor: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
Authors:Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
Deposit date:2014-05-19
Release date:2014-10-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
4QKW
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BU of 4qkw by Molmil
Crystal structure of the zebrafish cavin4a HR1 domain
Descriptor: CHLORIDE ION, Muscle-related coiled-coil protein
Authors:Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M.
Deposit date:2014-06-10
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the organization of the cavin membrane coat complex
Dev.Cell, 31, 2014
4QO4
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BU of 4qo4 by Molmil
co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
4QBO
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BU of 4qbo by Molmil
VRR_NUC domain
Descriptor: MAGNESIUM ION, Nuclease
Authors:Smerdon, S.J, Pennell, S, Li, J.
Deposit date:2014-05-08
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
4QVX
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Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4NQQ
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BU of 4nqq by Molmil
Crystal structure of mouse P-cadherin extracellular domains EC1-EC2
Descriptor: CALCIUM ION, COPPER (II) ION, Cadherin-3
Authors:Brasch, J, Shapiro, L.
Deposit date:2013-11-25
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NQ2
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BU of 4nq2 by Molmil
Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION
Authors:Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C.
Deposit date:2013-11-23
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2.
Biochemistry, 53, 2014
4NUN
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Crystal structure of copper-bound Na-ASP-2
Descriptor: Ancylostoma secreted protein 2, COPPER (II) ION
Authors:Hofmann, A.
Deposit date:2013-12-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014

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