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1LKJ
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BU of 1lkj by Molmil
NMR Structure of Apo Calmodulin from Yeast Saccharomyces cerevisiae
Descriptor: Calmodulin
Authors:Ishida, H, Nakashima, K, Kumaki, Y, Nakata, M, Hikichi, K, Yazawa, M.
Deposit date:2002-04-25
Release date:2003-04-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of apocalmodulin from Saccharomyces cerevisiae implies a mechanism for its unique Ca2+ binding property.
Biochemistry, 41, 2002
1HW9
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BU of 1hw9 by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH SIMVASTATIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE, Simvastatin acid
Authors:Istvan, E.S, Deisenhofer, J.
Deposit date:2001-01-09
Release date:2001-05-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural mechanism for statin inhibition of HMG-CoA reductase.
Science, 292, 2001
6PXN
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BU of 6pxn by Molmil
Human Casein Kinase 1 delta Tau mutant (R178C)
Descriptor: Casein kinase I isoform delta, SULFATE ION
Authors:Philpott, J.M, Tripathi, S.M, Partch, C.L.
Deposit date:2019-07-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
6PUO
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BU of 6puo by Molmil
Human TRPM2 in the apo state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
1LQY
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BU of 1lqy by Molmil
Crystal Structure of Bacillus stearothermophilus Peptide Deformylase Complexed with Antibiotic Actinonin
Descriptor: ACTINONIN, NICKEL (II) ION, PEPTIDE deformylase 2
Authors:Mathieu, M, Mikol, V.
Deposit date:2002-05-14
Release date:2002-07-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of four peptide deformylases bound to the antibiotic actinonin reveal two distinct types: a platform for the structure-based design of antibacterial agents.
J.Mol.Biol., 320, 2002
1M0B
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BU of 1m0b by Molmil
HIV-1 protease in complex with an ethyleneamine inhibitor
Descriptor: GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Petrokova, H, Hasek, J, Dohnalek, J.
Deposit date:2002-06-12
Release date:2004-01-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors
Eur.J.Biochem., 271, 2004
3HXE
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BU of 3hxe by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37)
Descriptor: CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ...
Authors:Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
Deposit date:2009-06-20
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
4ZC4
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BU of 4zc4 by Molmil
Crystal structure of LARP1-unique domain DM15
Descriptor: La-related protein 1, SULFATE ION
Authors:Lahr, R.M, Berman, A.J.
Deposit date:2015-04-15
Release date:2015-08-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The La-related protein 1-specific domain repurposes HEAT-like repeats to directly bind a 5'TOP sequence.
Nucleic Acids Res., 43, 2015
3HXB
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Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
Descriptor: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
Authors:Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
Deposit date:2009-06-20
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
4YV3
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BU of 4yv3 by Molmil
Trimeric crystal structure of vimentin coil1B fragment
Descriptor: CHLORIDE ION, SULFATE ION, Vimentin
Authors:Chernyatina, A.A, Strelkov, S.V.
Deposit date:2015-03-19
Release date:2015-12-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:How to Study Intermediate Filaments in Atomic Detail.
Meth. Enzymol., 568, 2016
1MD0
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BU of 1md0 by Molmil
CRYSTAL STRUCTURE OF AN INHIBITED FRAGMENT OF Ets-1
Descriptor: C-ets-1 protein
Authors:Garvie, C.W, Pufall, M.A, Graves, B.J, Wolberger, C.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of the Autoinhibition of Ets-1 and Its Role in Protein Partnerships
J.Biol.Chem., 277, 2002
2QHC
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BU of 2qhc by Molmil
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Descriptor: BETA-MERCAPTOETHANOL, 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, PROTEASE RETROPEPSIN
Authors:Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
Deposit date:2007-07-02
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
1JG3
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BU of 1jg3 by Molmil
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate
Descriptor: ADENOSINE, CHLORIDE ION, SODIUM ION, ...
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JNB
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BU of 1jnb by Molmil
CONNECTOR PROTEIN FROM BACTERIOPHAGE PHI29
Descriptor: UPPER COLLAR PROTEIN
Authors:Simpson, A.A, Leiman, P.G, Tao, Y, He, Y, Badasso, M.O, Jardine, P.J, Anderson, D.L, Rossmann, M.G.
Deposit date:2001-07-23
Release date:2001-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure determination of the head-tail connector of bacteriophage phi29.
Acta Crystallogr.,Sect.D, 57, 2001
1ICH
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BU of 1ich by Molmil
SOLUTION STRUCTURE OF THE TUMOR NECROSIS FACTOR RECEPTOR-1 DEATH DOMAIN
Descriptor: TUMOR NECROSIS FACTOR RECEPTOR-1
Authors:Sukits, S.F, Lin, L.-L, Malakian, K, Powers, R, Xu, G.-Y.
Deposit date:2001-04-01
Release date:2002-04-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the tumor necrosis factor receptor-1 death domain.
J.Mol.Biol., 310, 2001
3KQJ
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BU of 3kqj by Molmil
MurA binary complex with UDP-N-acetylglucosamine
Descriptor: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Natural Product Antibiotic Terreic Acid is a Mechanism-Based Inhibitor of the Bacterial Enzyme MurA in vitro but not in vivo.
To be Published
3KQA
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BU of 3kqa by Molmil
MurA dead-end complex with terreic acid
Descriptor: (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione, CALCIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
3KR6
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BU of 3kr6 by Molmil
MurA dead-end complex with fosfomycin
Descriptor: UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, [(1R)-1-hydroxypropyl]phosphonic acid
Authors:Schonbrunn, E.
Deposit date:2009-11-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) .
Biochemistry, 49, 2010
1JG2
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BU of 1jg2 by Molmil
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine
Descriptor: ADENOSINE, SODIUM ION, protein-L-isoaspartate O-methyltransferase
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
3KRR
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BU of 3krr by Molmil
Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor
Descriptor: 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2
Authors:Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C.
Deposit date:2009-11-19
Release date:2010-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805
Mol.Cancer Ther., 9, 2010
1G62
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BU of 1g62 by Molmil
CRYSTAL STRUCTURE OF S.CEREVISIAE EIF6
Descriptor: RIBOSOME ANTI-ASSOCIATION FACTOR EIF6
Authors:Groft, C.M, Beckmann, R, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2000-11-02
Release date:2000-11-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of ribosome anti-association factor IF6.
Nat.Struct.Biol., 7, 2000
1VHP
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BU of 1vhp by Molmil
VH-P8, NMR
Descriptor: VH-P8
Authors:Riechmann, L.
Deposit date:1996-04-16
Release date:1996-11-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Rearrangement of the former VL interface in the solution structure of a camelised, single antibody VH domain.
J.Mol.Biol., 259, 1996
1UW1
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BU of 1uw1 by Molmil
A Novel ADP- and Zinc-binding fold from function-directed in vitro evolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARTIFICIAL NUCLEOTIDE BINDING PROTEIN (ANBP), ZINC ION
Authors:Lo Surdo, P, Walsh, M.A, Sollazzo, M.
Deposit date:2004-01-28
Release date:2004-03-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Novel Adp- and Zinc-Binding Fold from Function-Directed in Vitro Evolution
Nat.Struct.Mol.Biol., 11, 2004
2PDD
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BU of 2pdd by Molmil
THE HIGH RESOLUTION STRUCTURE OF THE PERIPHERAL SUBUNIT-BINDING DOMAIN OF DIHYDROLIPOAMIDE ACETYLTRANSFERASE FROM THE PYRUVATE DEHYDROGENASE MULTIENZYME COMPLEX OF BACILLUS STEAROTHERMOPHILUS
Descriptor: DIHYDROLIPOAMIDE ACETYLTRANSFERASE
Authors:Kalia, Y.N, Brocklehurst, S.M, Hipps, D.S, Appella, E, Sakaguchi, K, Perham, R.N.
Deposit date:1992-11-25
Release date:1994-12-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The high-resolution structure of the peripheral subunit-binding domain of dihydrolipoamide acetyltransferase from the pyruvate dehydrogenase multienzyme complex of Bacillus stearothermophilus.
J.Mol.Biol., 230, 1993
1LVL
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THE REFINED STRUCTURE OF PSEUDOMONAS PUTIDA LIPOAMIDE DEHYDROGENASE COMPLEXED WITH NAD+ AT 2.45 ANGSTROMS RESOLUTION
Descriptor: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mattevi, A, Hol, W.G.J.
Deposit date:1992-12-16
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The refined crystal structure of Pseudomonas putida lipoamide dehydrogenase complexed with NAD+ at 2.45 A resolution.
Proteins, 13, 1992

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