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1DKW
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BU of 1dkw by Molmil
CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE
Descriptor: TERTIARY-BUTYL ALCOHOL, TRIOSEPHOSPHATE ISOMERASE
Authors:Norledge, B.V, Lambeir, A.M, Abagyan, R.A, Rottman, A, Fernandez, A.M, Filimonov, V.V, Peter, M.G, Wierenga, R.K.
Deposit date:1999-12-08
Release date:2000-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Modeling, mutagenesis, and structural studies on the fully conserved phosphate-binding loop (loop 8) of triosephosphate isomerase: toward a new substrate specificity.
Proteins, 42, 2001
4FLN
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BU of 4fln by Molmil
Crystal structure of plant protease Deg2
Descriptor: Protease Do-like 2, chloroplastic, Unknown peptide
Authors:Gong, W, Liu, L, Sun, R, Gao, F.
Deposit date:2012-06-15
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Arabidopsis deg2 protein reveals an internal PDZ ligand locking the hexameric resting state.
J.Biol.Chem., 287, 2012
1A15
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BU of 1a15 by Molmil
SDF-1ALPHA
Descriptor: STROMAL DERIVED FACTOR-1ALPHA, SULFATE ION
Authors:Dealwis, C.G, Fernandez, E.J, Lolis, E.
Deposit date:1997-12-22
Release date:1998-08-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of chemically synthesized [N33A] stromal cell-derived factor 1alpha, a potent ligand for the HIV-1 "fusin" coreceptor.
Proc.Natl.Acad.Sci.USA, 95, 1998
4K7W
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BU of 4k7w by Molmil
Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ...
Authors:Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G.
Deposit date:2013-04-17
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
4E49
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BU of 4e49 by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-12
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
2XWD
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BU of 2xwd by Molmil
X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6O-(N'-(N-OCTYL)IMINO)NOJIRIMYCIN IN THE ACTIVE SITE
Descriptor: (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, SULFATE ION, ...
Authors:Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H.
Deposit date:2010-11-01
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues.
Org.Biomol.Chem., 9, 2011
2XSM
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BU of 2xsm by Molmil
Crystal structure of the mammalian cytosolic chaperonin CCT in complex with tubulin
Descriptor: CCT
Authors:Munoz, I.G, Yebenes, H, Zhou, M, Mesa, P, Serna, M, Bragado-Nilsson, E, Beloso, A, Robinson, C.V, Valpuesta, J.M, Montoya, G.
Deposit date:2010-10-29
Release date:2010-12-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Crystal Structure of the Open Conformation of the Mammalian Chaperonin Cct in Complex with Tubulin.
Nat.Struct.Mol.Biol., 18, 2011
4FN7
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BU of 4fn7 by Molmil
Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c)
Descriptor: CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:"Crystal Structure and Mechanism of the Prokaryotic Enoyl-CoA Isomerase (ECI)"
To be Published
4FN8
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Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA
Descriptor: ACETOACETYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase (ECI)
To be Published
4FNB
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Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA
Descriptor: 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase
To be Published
4K7S
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BU of 4k7s by Molmil
Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ...
Authors:Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G.
Deposit date:2013-04-17
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
4CI4
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BU of 4ci4 by Molmil
Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor alpha agonist
Descriptor: 2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA
Authors:Santos, J.C, Bernardes, A, Polikarpov, I.
Deposit date:2013-12-05
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Different binding and recognition modes of GL479, a dual agonist of Peroxisome Proliferator-Activated Receptor alpha / gamma.
J. Struct. Biol., 191, 2015
1LQJ
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BU of 1lqj by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE
Descriptor: URACIL-DNA GLYCOSYLASE
Authors:Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M.
Deposit date:2002-05-10
Release date:2002-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
4IXU
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BU of 4ixu by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
4BOS
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BU of 4bos by Molmil
Structure of OTUD2 OTU domain in complex with Ubiquitin K11-linked peptide
Descriptor: MAGNESIUM ION, NITRATE ION, OTUD2, ...
Authors:Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2013-05-22
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
4E4A
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BU of 4e4a by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-12
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
3B5T
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BU of 3b5t by Molmil
Crystal Structure of Novel Immune-Type Receptor 10 Se-Met Extracellular Fragment Mutant N30D
Descriptor: Novel immune-type receptor 10
Authors:Ostrov, D.A, Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Magis, A.T, Bailey, K.M, Litman, G.W.
Deposit date:2007-10-26
Release date:2008-06-24
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A bony fish immunological receptor of the NITR multigene family mediates allogeneic recognition.
Immunity, 29, 2008
4I88
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BU of 4i88 by Molmil
R107G HSP16.5
Descriptor: Small heat shock protein HSP16.5
Authors:Pohl, E, Williamson, I.R, Quinlan, R.A.
Deposit date:2012-12-03
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Changes in the quaternary structure and function of MjHSP16.5 attributable to deletion of the IXI motif and introduction of the substitution, R107G, in the alpha-crystallin domain.
PHILOS.TRANS.R.SOC.LOND.B BIOL.SCI., 368, 2013
4FND
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BU of 4fnd by Molmil
Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA
Descriptor: (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-19
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase
To be Published
4L6Q
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BU of 4l6q by Molmil
ROCK2 in complex with benzoxaborole
Descriptor: 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2
Authors:Rock, F, Jarnagin, K.
Deposit date:2013-06-12
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
3AAJ
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BU of 3aaj by Molmil
Crystal structure of Ca2+-bound form of des3-23ALG-2deltaGF122
Descriptor: CALCIUM ION, Programmed cell death protein 6
Authors:Suzuki, H, Inuzuka, T, Kawasaki, M, Shibata, H, Wakatsuki, S, Maki, M.
Deposit date:2009-11-19
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for defect in Alix-binding by alternatively spliced isoform of ALG-2 (ALG-2DeltaGF122) and structural roles of F122 in target recognition
Bmc Struct.Biol., 10, 2010
2LVR
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BU of 2lvr by Molmil
Solution structure of Miz-1 zinc finger 8
Descriptor: ZINC ION, Zinc finger and BTB domain-containing protein 17
Authors:Bedard, M, Maltais, L, Beaulieu, M, Bernard, D, Lavigne, P.
Deposit date:2012-07-10
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure note: solution structure of human Miz-1 zinc fingers 8 to 10.
J.Biomol.Nmr, 54, 2012
2LVT
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BU of 2lvt by Molmil
Solution structure of Miz-1 zinc finger 9
Descriptor: ZINC ION, Zinc finger and BTB domain-containing protein 17
Authors:Bedard, M, Maltais, L, Beaulieu, M, Bernard, D, Lavigne, P.
Deposit date:2012-07-11
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure note: solution structure of human Miz-1 zinc fingers 8 to 10.
J.Biomol.Nmr, 54, 2012
1ACW
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BU of 1acw by Molmil
SOLUTION NMR STRUCTURE OF P01, A NATURAL SCORPION PEPTIDE STRUCTURALLY ANALOGOUS TO SCORPION TOXINS SPECIFIC FOR APAMIN-SENSITIVE POTASSIUM CHANNEL, 25 STRUCTURES
Descriptor: NATURAL SCORPION PEPTIDE P01
Authors:Blanc, E, Fremont, V, Sizun, P, Meunier, S, Van Rietschoten, J, Thevand, A, Bernassau, J.M, Darbon, H.
Deposit date:1997-02-10
Release date:1997-04-01
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of P01, a natural scorpion peptide structurally analogous to scorpion toxins specific for apamin-sensitive potassium channel.
Proteins, 24, 1996
5ZYX
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BU of 5zyx by Molmil
Solution NMR structure of K30 peptide in 10 mM dioctanoyl phosphatidylglycerol (D8PG)
Descriptor: ARG-TRP-LYS-ARG-HIS-ILE-SER-GLU-GLN-LEU-ARG-ARG-ARG-ASP-ARG-LEU-GLN-ARG-GLN-ALA
Authors:Bhunia, A, Mohid, A, Stella, L, Calligari, P.
Deposit date:2018-05-28
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Synthesis, Antibacterial Potential, and Structural Characterization of N-Acylated Derivatives of the Human Autophagy 16 Polypeptide.
Bioconjug.Chem., 30, 2019

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