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4ZVM
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BU of 4zvm by Molmil
Oxidized quinone reductase 2 in complex with doxorubicin
Descriptor: DOXORUBICIN, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2015-05-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2.
Biochemistry, 54, 2015
3ESV
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BU of 3esv by Molmil
Crystal structure of the engineered neutralizing antibody M18
Descriptor: Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-06
Release date:2009-04-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
3ET9
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BU of 3et9 by Molmil
Crystal structure of the engineered neutralizing antibody 1H
Descriptor: Antibody 1H light chain and antibody 1H heavy chain linked with a synthetic (GGGGS)4 linker
Authors:Leysath, C.E, Monzingo, A.F, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
Deposit date:2008-10-07
Release date:2009-04-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
5MFV
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BU of 5mfv by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-521 at 2.18 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
Authors:Larsen, A.P, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-11-18
Release date:2017-04-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
5MIP
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BU of 5mip by Molmil
Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (30 min)
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P.
Deposit date:2016-11-29
Release date:2017-04-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
2YIS
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BU of 2yis by Molmil
triazolopyridine inhibitors of p38 kinase.
Descriptor: 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M.
Deposit date:2011-05-16
Release date:2011-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
5AWL
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BU of 5awl by Molmil
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
Descriptor: A mutant of Chignolin, CLN025
Authors:Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S.
Deposit date:2015-07-05
Release date:2015-08-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
2FQ1
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BU of 2fq1 by Molmil
Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ...
Authors:Drake, E.J, Nicolai, D.A, Gulick, A.M.
Deposit date:2006-01-17
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Chem.Biol., 13, 2006
5OV9
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BU of 5ov9 by Molmil
Crystal structure of Acetylcholinesterase in complex with Crystal Violet
Descriptor: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F.
Deposit date:2017-08-28
Release date:2017-09-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
3FLY
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BU of 3fly by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
2P9T
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BU of 2p9t by Molmil
Crystal Structure of Phosphoglycerate Kinase-2 bound to 3-phosphoglycerate
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase, testis specific
Authors:Sawyer, G.M, Monzingo, A.F, Poteet, E.C, Robertus, J.D.
Deposit date:2007-03-26
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis of phosphoglycerate kinase 2, a sperm-specific isoform from Mus musculus.
Proteins, 71, 2007
4ZVN
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BU of 4zvn by Molmil
Reduced quinone reductase 2 in complex with acridine orange
Descriptor: ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2015-05-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2.
Biochemistry, 54, 2015
3FP6
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BU of 3fp6 by Molmil
Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit
Descriptor: 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ...
Authors:Zakharova, E, Horvath, M.P, Goldenberg, D.P.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of a serine protease poised to resynthesize a peptide bond.
Proc.Natl.Acad.Sci.USA, 106, 2009
5NF6
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BU of 5nf6 by Molmil
Structure of GluK3 ligand-binding domain (S1S2) in complex with CIP-AS at 2.55 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
4ZVL
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BU of 4zvl by Molmil
Oxidized quinone reductase 2 in complex with acridine orange
Descriptor: ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2015-05-18
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2.
Biochemistry, 54, 2015
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
5OWZ
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BU of 5owz by Molmil
Glycogen Phosphorylase in complex with KS172
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2017-09-05
Release date:2018-02-28
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
2Q9I
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BU of 2q9i by Molmil
Crystal Structure of D-Dimer from Human Fibrin Complexed with Met-His-Arg-Pro-Tyr-amide.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin B Knob (GHRPam), ...
Authors:Doolittle, R.F, Pandi, L.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini
Biochemistry, 46, 2007
5NMV
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BU of 5nmv by Molmil
Crystal structure of 2F22 Fab fragment against TFPI1
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Svensson, L.A, Petersen, H.H.
Deposit date:2017-04-07
Release date:2018-03-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Factor Xa and VIIa inhibition by tissue factor pathway inhibitor is prevented by a monoclonal antibody to its Kunitz-1 domain.
J. Thromb. Haemost., 16, 2018
5NLT
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BU of 5nlt by Molmil
CvAA9A
Descriptor: COPPER (II) ION, CvAA9A, SULFATE ION
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Schnorr, K, Tovborg, M, Lo Leggio, L.
Deposit date:2017-04-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
5NCK
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BU of 5nck by Molmil
The Crystal Structure of N-acetylmannosamine kinase in Fusobacterium nucleatum
Descriptor: N-acetylmannosamine kinase
Authors:Caing-Carlsson, R, Sharma, A, Friemann, R, Ramaswamy, S.
Deposit date:2017-03-06
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of N-acetylmannosamine kinase from Fusobacterium nucleatum.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5NF5
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BU of 5nf5 by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with CIP-AS at 2.85 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
2ONL
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BU of 2onl by Molmil
Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:Ter Haar, E.
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
3FP8
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BU of 3fp8 by Molmil
Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.46 A resolution limit
Descriptor: 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ...
Authors:Zakharova, E, Horvath, M.P, Goldenberg, D.P, Curtice, K.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of a serine protease poised to resynthesize a peptide bond.
Proc.Natl.Acad.Sci.USA, 106, 2009

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