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1IH3
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BU of 1ih3 by Molmil
Multi-conformation crystal structure of GGm5CGm5CC
Descriptor: 5'-D(*GP*GP*(5CM)P*GP*(5CM)P*C)-3'
Authors:Vargason, J.M, Henderson, K, Ho, P.S.
Deposit date:2001-04-18
Release date:2001-06-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A crystallographic map of the transition from B-DNA to A-DNA.
Proc.Natl.Acad.Sci.USA, 98, 2001
1IE9
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BU of 1ie9 by Molmil
Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to MC1288
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR
Authors:Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D.
Deposit date:2001-04-09
Release date:2001-05-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
6B8B
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BU of 6b8b by Molmil
E. coli LptB in complex with ADP and a novobiocin derivative
Descriptor: (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ...
Authors:Mandler, M.D, Owens, T.W, Lazarus, M.B, May, J.M, Kahne, D.K.
Deposit date:2017-10-06
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport.
J. Am. Chem. Soc., 139, 2017
1IQD
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BU of 1iqd by Molmil
Human Factor VIII C2 Domain complexed to human monoclonal BO2C11 Fab.
Descriptor: HUMAN FACTOR VIII, HUMAN MONOCLONAL BO2C11 FAB HEAVY CHAIN, HUMAN MONOCLONAL BO2C11 FAB LIGHT CHAIN
Authors:Spiegel Jr, P.C, Jacquemin, M, Saint-Remy, J.M, Stoddard, B.L, Pratt, K.P.
Deposit date:2001-07-21
Release date:2001-08-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a factor VIII C2 domain-immunoglobulin G4kappa Fab complex: identification of an inhibitory antibody epitope on the surface of factor VIII.
Blood, 98, 2001
1IDE
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BU of 1ide by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION)
Descriptor: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
Authors:Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
6AUD
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BU of 6aud by Molmil
PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
Descriptor: 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Ultsch, M.
Deposit date:2017-08-31
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
1IDD
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BU of 1idd by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E.
Deposit date:1995-01-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
6BE0
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BU of 6be0 by Molmil
AvrA delL154 with IP6, CoA
Descriptor: AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE
Authors:Labriola, J.M, Nagar, B.
Deposit date:2017-10-24
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition.
Biochemistry, 57, 2018
6AVH
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BU of 6avh by Molmil
GH3.15 acyl acid amido synthetase
Descriptor: ADENOSINE MONOPHOSPHATE, GH3.15 acyl acid amido synthetase
Authors:Sherp, A.M, Jez, J.M.
Deposit date:2017-09-02
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Arabidopsis thalianaGH3.15 acyl acid amido synthetase has a highly specific substrate preference for the auxin precursor indole-3-butyric acid.
J. Biol. Chem., 293, 2018
1IGA
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BU of 1iga by Molmil
MODEL OF HUMAN IGA1 DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING
Descriptor: IGA1
Authors:Boehm, M.K, Woof, J.M, Kerr, M.A, Perkins, S.J.
Deposit date:1998-12-23
Release date:1999-06-15
Last modified:2024-02-07
Method:SOLUTION SCATTERING
Cite:The Fab and Fc fragments of IgA1 exhibit a different arrangement from that in IgG: a study by X-ray and neutron solution scattering and homology modelling.
J.Mol.Biol., 286, 1999
1JDG
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BU of 1jdg by Molmil
Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex
Descriptor: 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
Authors:Pradhan, P, Tirumala, S, Liu, X, Sayer, J.M, Jerina, D.M, Yeh, H.J.C.
Deposit date:2001-06-13
Release date:2001-07-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation.
Biochemistry, 40, 2001
1JU3
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BU of 1ju3 by Molmil
BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG
Descriptor: PHENYL BORONIC ACID, cocaine esterase
Authors:Larsen, N.A, Turner, J.M, Stevens, J, Rosser, S.J, Basran, A, Lerner, R.A, Bruce, N.C, Wilson, I.A.
Deposit date:2001-08-23
Release date:2001-12-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of a bacterial cocaine esterase.
Nat.Struct.Biol., 9, 2002
1JNP
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BU of 1jnp by Molmil
Crystal Structure of Murine Tcl1 at 2.5 Resolution
Descriptor: T-CELL LEUKEMIA/LYMPHOMA PROTEIN 1A
Authors:Petock, J.M, Torshin, I.Y, Wang, Y.F, DuBois, G.C, Croce, C.M, Harrison, R.W, Weber, I.T.
Deposit date:2001-07-24
Release date:2001-11-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of murine Tcl1 at 2.5 A resolution and implications for the TCL oncogene family.
Acta Crystallogr.,Sect.D, 57, 2001
6B3U
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BU of 6b3u by Molmil
Solution Structure of HIV-1 GP41 Transmembrane Domain in Bicelles
Descriptor: HIV-1 GP41 Transmembrane Domain
Authors:Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A.
Deposit date:2017-09-24
Release date:2018-01-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings.
J. Am. Chem. Soc., 140, 2018
2LXD
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BU of 2lxd by Molmil
Backbone 1H, 13C, and 15N Chemical Shift Assignments for LMO2(LIM2)-Ldb1(LID)
Descriptor: Rhombotin-2,LIM domain-binding protein 1, ZINC ION
Authors:Dastmalchi, S, Wilkinson-White, L, Kwan, A.H, Gamsjaeger, R, Mackay, J.P, Matthews, J.M.
Deposit date:2012-08-20
Release date:2012-09-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a tethered Lmo2(LIM2) /Ldb1(LID) complex.
Protein Sci., 21, 2012
6BHR
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BU of 6bhr by Molmil
HIV-1 immature CTD-SP1 hexamer in complex with IP6
Descriptor: Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE
Authors:Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.
Deposit date:2017-10-31
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
1K6S
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BU of 1k6s by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH A PHENYLBORONIC ACID
Descriptor: 4-IODO-ACETAMIDO PHENYLBORONIC ACID, Beta-lactamase PSE-2, CALCIUM ION, ...
Authors:Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
Deposit date:2001-10-17
Release date:2003-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published
1K6R
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BU of 1k6r by Molmil
STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH MOXALACTAM
Descriptor: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Beta-lactamase PSE-2
Authors:Kerff, F, Fonze, E, Sauvage, E, Frere, J.M, Charlier, P.
Deposit date:2001-10-17
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF CLASS D BETA-LACTAMASE OXA-10 IN COMPLEX WITH DIFFERENT SUBSTRATES AND ONE INHIBITOR.
To be Published
1K4E
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BU of 1k4e by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASES OXA-10 DETERMINED BY MAD PHASING WITH SELENOMETHIONINE
Descriptor: Beta-lactamase PSE-2, SULFATE ION
Authors:Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P.
Deposit date:2001-10-08
Release date:2001-10-31
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:STRUCTURE OF CLASS D BETA-LACTAMASE OXA-2
To be Published
1K4W
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BU of 1k4w by Molmil
X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation
Descriptor: Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1
Authors:Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P.
Deposit date:2001-10-09
Release date:2002-04-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
6BHV
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BU of 6bhv by Molmil
Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD)
Descriptor: Poly [ADP-ribose] polymerase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Authors:Pascal, J.M, Langelier, M.F.
Deposit date:2017-10-31
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD+analog reveals PARP-1 substrate-blocking mechanism and allosteric communication from catalytic center to DNA-binding domains.
Nat Commun, 9, 2018
1KHV
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BU of 1khv by Molmil
Crystal Structure of Rabbit Hemorrhagic Disease Virus RNA-dependent RNA polymerase complexed with Lu3+
Descriptor: LUTETIUM (III) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Ng, K.K, Cherney, M.M, Vazquez, A.L, Machin, A, Alonso, J.M, Parra, F, James, M.N.
Deposit date:2001-12-01
Release date:2002-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of active and inactive conformations of a caliciviral RNA-dependent RNA polymerase.
J.Biol.Chem., 277, 2002
1I88
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BU of 1i88 by Molmil
CHALCONE SYNTHASE (G256V)
Descriptor: CHALCONE SYNTHASE 2, SULFATE ION
Authors:Jez, J.M, Bowman, M.E, Noel, J.P.
Deposit date:2001-03-12
Release date:2001-12-12
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-guided programming of polyketide chain-length determination in chalcone synthase.
Biochemistry, 40, 2001
6CJO
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BU of 6cjo by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation.
Descriptor: Chalcone--flavonone isomerase 1, SULFATE ION
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
1IBM
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BU of 1ibm by Molmil
STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH A MESSENGER RNA FRAGMENT AND COGNATE TRANSFER RNA ANTICODON STEM-LOOP BOUND AT THE A SITE
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V.
Deposit date:2001-03-28
Release date:2001-05-04
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Recognition of cognate transfer RNA by the 30S ribosomal subunit.
Science, 292, 2001

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