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3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
1GPT
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BU of 1gpt by Molmil
SOLUTION STRUCTURE OF GAMMA 1-H AND GAMMA 1-P THIONINS FROM BARLEY AND WHEAT ENDOSPERM DETERMINED BY 1H-NMR: A STRUCTURAL MOTIF COMMON TO TOXIC ARTHROPOD PROTEINS
Descriptor: GAMMA-1-H THIONIN
Authors:Bruix, M, Jimenez, M.A, Santoro, J, Gonzalez, C, Colilla, F.J, Mendez, E, Rico, M.
Deposit date:1992-07-29
Release date:1993-10-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of gamma 1-H and gamma 1-P thionins from barley and wheat endosperm determined by 1H-NMR: a structural motif common to toxic arthropod proteins.
Biochemistry, 32, 1993
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
Descriptor: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.K.
Deposit date:2009-10-23
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3SQC
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BU of 3sqc by Molmil
SQUALENE-HOPENE CYCLASE
Descriptor: SQUALENE--HOPENE CYCLASE
Authors:Wendt, K.U, Schulz, G.E.
Deposit date:1998-09-04
Release date:1999-05-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the membrane protein squalene-hopene cyclase at 2.0 A resolution.
J.Mol.Biol., 286, 1999
4J9M
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BU of 4j9m by Molmil
Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after an A at the primer 3' end (AA/G)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA, DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Z54
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BU of 2z54 by Molmil
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Descriptor: BETA-MERCAPTOETHANOL, HIV-1 Protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Brynda, J, Klara, S, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
3GGA
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BU of 3gga by Molmil
HIV Protease inhibitors with pseudo-symmetric cores
Descriptor: V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-02-27
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
1QV7
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BU of 1qv7 by Molmil
HORSE LIVER ALCOHOL DEHYDROGENASE HIS51GLN/LYS228ARG MUTANT COMPLEXED WITH NAD+ AND 2,3-DIFLUOROBENZYL ALCOHOL
Descriptor: 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Lebrun, L.A, Park, D.-H, Ramaswamy, S, Plapp, B.V.
Deposit date:2003-08-27
Release date:2004-01-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Participation of histidine-51 in catalysis by horse liver alcohol dehydrogenase.
Biochemistry, 43, 2004
3ZC1
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BU of 3zc1 by Molmil
Crystal structure of AfC3PO
Descriptor: AFTRAX, MAGNESIUM ION
Authors:Parizotto, E.A, Lowe, E.D, Parker, J.S.
Deposit date:2012-11-14
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.269 Å)
Cite:Structural Basis for Duplex RNA Recognition and Cleavage by Archaeoglobus Fulgidus C3Po.
Nat.Struct.Mol.Biol., 20, 2013
4J9N
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BU of 4j9n by Molmil
Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after a G at the primer 3' end (GA/G)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA, DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
8P5R
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BU of 8p5r by Molmil
Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA
Descriptor: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
Authors:Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M.
Deposit date:2023-05-24
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.562 Å)
Cite:High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
2ZN8
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BU of 2zn8 by Molmil
Crystal structure of Zn2+-bound form of ALG-2
Descriptor: Programmed cell death protein 6, SODIUM ION, ZINC ION
Authors:Suzuki, H, Kawasaki, M, Inuzuka, T, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M.
Deposit date:2008-04-22
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Ca(2+)-Dependent Formation of ALG-2/Alix Peptide Complex: Ca(2+)/EF3-Driven Arginine Switch Mechanism
Structure, 16, 2008
5DA3
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BU of 5da3 by Molmil
Crystal structure of PTK6 Kinase domain with inhibitor
Descriptor: (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, GLYCEROL, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Battula, S.K, Vadivelu, S, Tyagi, R, Gosu, R.
Deposit date:2015-08-19
Release date:2016-08-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution
Biochem. Biophys. Res. Commun., 482, 2017
5UW6
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BU of 5uw6 by Molmil
PCY1 in Complex with Follower Peptide and Covalent Inhibitor ZPP
Descriptor: CALCIUM ION, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, 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 (3.3 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
4LA7
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BU of 4la7 by Molmil
X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex
Descriptor: ACETATE ION, Abscisic acid receptor PYL2, GLYCEROL, ...
Authors:Peterson, F.C, Volkman, B.F, Cutler, S.R.
Deposit date:2013-06-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Activation of dimeric ABA receptors elicits guard cell closure, ABA-regulated gene expression, and drought tolerance.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TNP
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BU of 3tnp by Molmil
Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S.
Deposit date:2011-09-01
Release date:2012-02-01
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
1YOU
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BU of 1you by Molmil
Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione inhibitor
Descriptor: 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE, CALCIUM ION, Collagenase 3, ...
Authors:Pandit, J.
Deposit date:2005-01-28
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14.
Bioorg.Med.Chem.Lett., 15, 2005
6ASW
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BU of 6asw by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.0
Descriptor: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
Authors:Martinez, S.E, Das, K, Arnold, E.
Deposit date:2017-08-25
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
5CPV
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BU of 5cpv by Molmil
RESTRAINED LEAST SQUARES REFINEMENT OF NATIVE (CALCIUM) AND CADMIUM-SUBSTITUTED CARP PARVALBUMIN USING X-RAY CRYSTALLOGRAPHIC DATA AT 1.6-ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALCIUM-BINDING PARVALBUMIN B
Authors:Swain, A.L, Kretsinger, R.H, Amma, E.L.
Deposit date:1990-01-24
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Restrained least squares refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-ray crystallographic data at 1.6-A resolution.
J.Biol.Chem., 264, 1989
3NGU
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BU of 3ngu by Molmil
Structure of Leishmania NDKb complexed with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
Authors:Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T.
Deposit date:2010-06-13
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
4J9K
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BU of 4j9k by Molmil
Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after a T at the primer 3' end (TA/G)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA, DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
2WOH
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BU of 2woh by Molmil
Strontium soaked E. coli copper amine oxidase
Descriptor: CALCIUM ION, COPPER (II) ION, PRIMARY AMINE OXIDASE, ...
Authors:Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J.
Deposit date:2009-07-23
Release date:2010-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase.
Biochemistry, 49, 2010
1HPY
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BU of 1hpy by Molmil
THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES
Descriptor: PARATHYROID HORMONE
Authors:Marx, U.C, Roesch, P, Adermann, K, Bayer, P, Forssmann, W.-G.
Deposit date:1998-09-30
Release date:2000-01-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000
3NGR
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BU of 3ngr by Molmil
Crystal structure of Leishmania nucleoside diphosphate kinase b with unordered nucleotide-binding loop.
Descriptor: Nucleoside diphosphate kinase, PHOSPHATE ION
Authors:Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T.
Deposit date:2010-06-13
Release date:2011-04-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
3S4R
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BU of 3s4r by Molmil
Crystal structure of vimentin coil1A/1B fragment with a stabilizing mutation
Descriptor: GLYCEROL, Vimentin
Authors:Chernyatina, A.A, Strelkov, S.V.
Deposit date:2011-05-20
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly.
Proc.Natl.Acad.Sci.USA, 109, 2012

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