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1GJ7
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BU of 1gj7 by Molmil
ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
Descriptor: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
4G3G
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BU of 4g3g by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) V408L bound to a 2-(aminothiazolyl)phenol (cmp3)
Descriptor: 4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol, NF-kappa-beta-inducing kinase
Authors:Hymowitz, S.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4G3E
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BU of 4g3e by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
Descriptor: (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol, NF-kappa-beta-inducing kinase, SULFATE ION
Authors:Hymowitz, S.G, de Leon-Boenig, G.
Deposit date:2012-07-13
Release date:2012-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
2BRK
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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
Descriptor: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S, Volpari, C, Carfi, A.
Deposit date:2005-05-06
Release date:2005-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2YWZ
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BU of 2ywz by Molmil
Structure of new antigen receptor variable domain from sharks
Descriptor: new antigen receptor variable domain
Authors:Streltsov, V.A.
Deposit date:2007-04-23
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007
3P82
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BU of 3p82 by Molmil
H184N mutant of pentaerythritol tetranitrate reductase containing bound acetate ion
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P80
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BU of 3p80 by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure containing bound (E)-1-(3'-hydroxyphenyl)-2-nitroethene
Descriptor: 3-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
4Q7G
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BU of 4q7g by Molmil
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv
Authors:Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-04-24
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr D Struct Biol, 72, 2016
3P7Y
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BU of 3p7y by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure with bound (E)-1-(2'-hydroxyphenyl)-2-nitroethene
Descriptor: 2-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P81
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BU of 3p81 by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure containing a bound (E)-1-(4'-hydroxyphenyl)-2-nitroethene molecule
Descriptor: 4-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
4RWR
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BU of 4rwr by Molmil
2.1 Angstrom Crystal Structure of Stage II Sporulation Protein D from Bacillus anthracis
Descriptor: Stage II sporulation protein D
Authors:Minasov, G, Wawrzak, Z, Nocadello, S, Shuvalova, L, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-12-05
Release date:2014-12-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation.
J.Biol.Chem., 291, 2016
3P74
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BU of 3p74 by Molmil
H181N mutant of pentaerythritol tetranitrate reductase containing a C-terminal His8-tag
Descriptor: FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-12
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3DUY
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BU of 3duy by Molmil
Crystal structure of human beta-secretase in complex with NVP-AFJ144
Descriptor: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2008-07-18
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5C98
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BU of 5c98 by Molmil
1.45A resolution structure of SRPN18 from Anopheles gambiae
Descriptor: AGAP007691-PB
Authors:Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K.
Deposit date:2015-06-26
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
2Q8A
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BU of 2q8a by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
Descriptor: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
Authors:Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
Deposit date:2007-06-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody.
PLoS Pathog., 3, 2007
2Q8B
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BU of 2q8b by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
Descriptor: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
Authors:Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
Deposit date:2007-06-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007
1PSM
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BU of 1psm by Molmil
SOLUTION STRUCTURE OF A POLYPEPTIDE CONTAINING FOUR HEPTAD REPEATS FROM A MEROZOITE SURFACE ANTIGEN OF PLASMODIUM FALCIPARUM
Descriptor: SPAM-H1
Authors:Mulhern, T.D, Norton, R.S.
Deposit date:1994-12-01
Release date:1995-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a polypeptide containing four heptad repeat units from a merozoite surface antigen of Plasmodium falciparum.
Biochemistry, 34, 1995
1QU0
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BU of 1qu0 by Molmil
CRYSTAL STRUCTURE OF THE FIFTH LAMININ G-LIKE MODULE OF THE MOUSE LAMININ ALPHA2 CHAIN
Descriptor: CALCIUM ION, LAMININ ALPHA2 CHAIN, SULFATE ION
Authors:Hohenester, E, Tisi, D, Talts, J.F, Timpl, R.
Deposit date:1999-07-05
Release date:1999-12-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of a laminin G-like module reveals the molecular basis of alpha-dystroglycan binding to laminins, perlecan, and agrin.
Mol.Cell, 4, 1999
1LY7
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BU of 1ly7 by Molmil
The solution structure of the the c-terminal domain of frataxin, the protein responsible for friedreich ataxia
Descriptor: frataxin
Authors:Musco, G, Stier, G, Kolmerer, B, Adinolfi, S, Martin, S, Frenkiel, T, Gibson, T, Pastore, A.
Deposit date:2002-06-07
Release date:2002-06-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Towards a structural understanding of Friedreich's ataxia: the solution structure of frataxin
Structure Fold.Des., 8, 2000
1XGK
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BU of 1xgk by Molmil
CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
Descriptor: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
Authors:Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-09-17
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
1N8E
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BU of 1n8e by Molmil
Fragment Double-D from Human Fibrin
Descriptor: Fibrin alpha/alpha-E chain, Fibrin beta chain, Fibrin gamma chain
Authors:Yang, Z, Pandi, L, Doolittle, R.F.
Deposit date:2002-11-20
Release date:2003-01-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:The Crystal Structure of Fragment Double-D from Cross-Linked Lamprey Fibrin Reveals Isopeptide Linkages across an Unexpected D-D Interface
Biochemistry, 41, 2002
3HVO
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BU of 3hvo by Molmil
Structure of the genotype 2B HCV polymerase bound to a NNI
Descriptor: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, Genome polyprotein
Authors:Rydberg, E.H, Carfi, A.
Deposit date:2009-06-16
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors
To be Published
3OCD
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BU of 3ocd by Molmil
Diheme SoxAX - C236M mutant
Descriptor: HEME C, SoxA, SoxX
Authors:Maher, M.J.
Deposit date:2010-08-09
Release date:2011-05-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
3OA8
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BU of 3oa8 by Molmil
Diheme SoxAX
Descriptor: HEME C, SULFATE ION, SoxA, ...
Authors:Maher, M.J.
Deposit date:2010-08-04
Release date:2011-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022

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數據於2024-09-25公開中

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