Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 787 results

3RG0
DownloadVisualize
BU of 3rg0 by Molmil
Structural and functional relationships between the lectin and arm domains of calreticulin
Descriptor: CALCIUM ION, Calreticulin
Authors:Kozlov, G, Pocanschi, C.L, Brockmeier, U, Williams, D.B, Gehring, K.
Deposit date:2011-04-07
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural and Functional Relationships between the Lectin and Arm Domains of Calreticulin.
J.Biol.Chem., 286, 2011
6DIT
DownloadVisualize
BU of 6dit by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19)
Descriptor: NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
4A01
DownloadVisualize
BU of 4a01 by Molmil
Crystal Structure of the H-Translocating Pyrophosphatase
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, ...
Authors:Lin, S.-M, Tsai, J.-Y, Hsiao, C.-D, Chiu, C.-L, Pan, R.-L, Sun, Y.-J.
Deposit date:2011-09-07
Release date:2012-03-28
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of a Membrane Embedded H1-Translocating Pyrophosphatase
Nature, 484, 2012
3VKX
DownloadVisualize
BU of 3vkx by Molmil
Structure of PCNA
Descriptor: 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ...
Authors:Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N.
Deposit date:2011-11-26
Release date:2012-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
3MXD
DownloadVisualize
BU of 3mxd by Molmil
Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease
Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2010-05-07
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3H60
DownloadVisualize
BU of 3h60 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms
Descriptor: MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H64
DownloadVisualize
BU of 3h64 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall
Descriptor: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
1BD6
DownloadVisualize
BU of 1bd6 by Molmil
7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
Authors:Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A.
Deposit date:1998-05-06
Release date:1998-06-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy.
Biochemistry, 37, 1998
1Y93
DownloadVisualize
BU of 1y93 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
Deposit date:2004-12-14
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
3H66
DownloadVisualize
BU of 3h66 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms
Descriptor: Serine/threonine-protein phosphatase 5, ZINC ION
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
5A7M
DownloadVisualize
BU of 5a7m by Molmil
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T.
Deposit date:2015-07-08
Release date:2016-08-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
3EM3
DownloadVisualize
BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
3EM4
DownloadVisualize
BU of 3em4 by Molmil
Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
2QI4
DownloadVisualize
BU of 2qi4 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease
Descriptor: ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2007-07-03
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2JPZ
DownloadVisualize
BU of 2jpz by Molmil
Human telomere DNA quadruplex structure in K+ solution hybrid-2 form
Descriptor: DNA (26-MER)
Authors:Dai, J, Carver, M, Punchihewa, C, Jones, R, Yang, D.
Deposit date:2007-05-25
Release date:2007-12-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the Hybrid-2 type intramolecular human telomeric G-quadruplex in K+ solution: insights into structure polymorphism of the human telomeric sequence
Nucleic Acids Res., 35, 2007
4QJ2
DownloadVisualize
BU of 4qj2 by Molmil
Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with WT p1-p6 substrate
Descriptor: GLYCEROL, PHOSPHATE ION, Protease, ...
Authors:Lin, K.H, Schiffer, C.A.
Deposit date:2014-06-03
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QJA
DownloadVisualize
BU of 4qja by Molmil
Crystal structure of inactive HIV-1 protease in complex with p1-p6 substrate variant (P453L)
Descriptor: Protease, SULFATE ION, p1-p6 peptide
Authors:Lin, K.H, Schiffer, C.A.
Deposit date:2014-06-03
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QJ7
DownloadVisualize
BU of 4qj7 by Molmil
Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (R452S)
Descriptor: PHOSPHATE ION, Protease, SULFATE ION, ...
Authors:Lin, K.H, Schiffer, C.A.
Deposit date:2014-06-03
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Proc.Natl.Acad.Sci.USA, 111, 2014
2JXY
DownloadVisualize
BU of 2jxy by Molmil
Solution structure of the hemopexin-like domain of MMP12
Descriptor: CALCIUM ION, Macrophage metalloelastase
Authors:Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M.
Deposit date:2007-12-01
Release date:2008-05-27
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
J.Am.Chem.Soc., 130, 2008
1CKU
DownloadVisualize
BU of 1cku by Molmil
AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (HIPIP)
Authors:Parisini, E, Capozzi, F, Lubini, P, Lamzin, V, Luchinat, C, Sheldrick, G.M.
Deposit date:1999-04-24
Release date:1999-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
3B6H
DownloadVisualize
BU of 3b6h by Molmil
Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil
Descriptor: 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ...
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-10-29
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
3B99
DownloadVisualize
BU of 3b99 by Molmil
Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605
Descriptor: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
1X95
DownloadVisualize
BU of 1x95 by Molmil
Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
Descriptor: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3'
Authors:Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D.
Deposit date:2004-08-19
Release date:2004-09-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug.
J.Biol.Chem., 279, 2004
2KRJ
DownloadVisualize
BU of 2krj by Molmil
High-Resolution Solid-State NMR Structure of a 17.6 kDa Protein
Descriptor: COBALT (II) ION, Macrophage metalloelastase
Authors:Bertini, I, Bhaumik, A, De Pa pe, G, Griffin, R.G, Lelli, M, Lewandowski, J.R, Luchinat, C.
Deposit date:2009-12-18
Release date:2010-02-23
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:High-resolution solid-state NMR structure of a 17.6 kDa protein.
J.Am.Chem.Soc., 132, 2010
3B98
DownloadVisualize
BU of 3b98 by Molmil
Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008

226707

數據於2024-10-30公開中

PDB statisticsPDBj update infoContact PDBjnumon