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8CRE
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BU of 8cre by Molmil
Crystal structure of the Candida albicans 80S ribosome in complex with geneticin G418
Descriptor: 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Kolosova, O, Zgadzay, Y, Yusupov, M.
Deposit date:2023-03-08
Release date:2024-09-18
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of read-through enhancement by aminoglycosides and mefloquine
Proc.Natl.Acad.Sci.USA, 2025
1RHY
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BU of 1rhy by Molmil
Crystal structure of Imidazole Glycerol Phosphate Dehydratase
Descriptor: ACETIC ACID, ETHYL MERCURY ION, GLYCEROL, ...
Authors:Sinha, S.C, Chaudhuri, B.N, Burgner, J.W, Yakovleva, G, Davisson, V.J, Smith, J.L.
Deposit date:2003-11-14
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of imidazole glycerol-phosphate dehydratase: duplication of an unusual fold
J.Biol.Chem., 279, 2004
2I9X
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BU of 2i9x by Molmil
Structural Genomics, the crystal structure of SpoVG conserved domain from Staphylococcus epidermidis ATCC 12228
Descriptor: 1,2-ETHANEDIOL, Putative septation protein spoVG
Authors:Tan, K, Maltseva, N, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-09-06
Release date:2006-10-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of SpoVG from Staphylococcus epidermidis ATCC 12228
To be Published
2C5D
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BU of 2c5d by Molmil
Structure of a minimal Gas6-Axl complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN 6 PRECURSOR, ...
Authors:Sasaki, T, Knyazev, P.G, Clout, N.J, Cheburkin, Y, Goehring, W, Ullrich, A, Timpl, R, Hohenester, E.
Deposit date:2005-10-26
Release date:2005-12-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Basis for Gas6-Axl Signalling.
Embo J., 25, 2006
6EUF
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BU of 6euf by Molmil
The GH43, Beta 1,3 Galactosidase, BT0265
Descriptor: Beta-glucanase, alpha-L-arabinofuranose-(1-3)-[alpha-L-arabinofuranose-(1-4)][beta-D-glucopyranuronic acid-(1-6)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose, alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-6)-[alpha-L-arabinofuranose-(1-3)][alpha-L-arabinofuranose-(1-4)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
1VMJ
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BU of 1vmj by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE THIAMIN PHOSPHATE SYNTHASE (TM0723) FROM THERMOTOGA MARITIMA MSB8 AT 1.52 A RESOLUTION
Descriptor: SODIUM ION, SULFATE ION, hypothetical protein TM0723
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-09-30
Release date:2004-10-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure of hypothetical protein (TM0723) from Thermotoga maritima at 1.52 A resolution
To be published
1YYL
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BU of 1yyl by Molmil
crystal structure of CD4M33, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 gp120 envelope glycoprotein and anti-HIV-1 antibody 17b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4M33, scorpion-toxin mimic of CD4, ...
Authors:Huang, C.C, Stricher, F, Martin, L, Decker, J.M, Majeed, S, Barthe, P, Hendrickson, W.A, Robinson, J, Roumestand, C, Sodroski, J, Wyatt, R, Shaw, G.M, Vita, C, Kwong, P.D.
Deposit date:2005-02-25
Release date:2005-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Scorpion-toxin mimics of CD4 in complex with human immunodeficiency virus gp120 crystal structures, molecular mimicry, and neutralization breadth.
Structure, 13, 2005
4LJZ
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BU of 4ljz by Molmil
Crystal Structure Analysis of the E.coli holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Bae, B, Darst, S.A.
Deposit date:2013-07-05
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5871 Å)
Cite:Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FIX
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BU of 4fix by Molmil
Crystal Structure of GlfT2
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wheatley, R.W, Zheng, R.B, Lowary, T.L, Ng, K.K.S.
Deposit date:2012-06-11
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Tetrameric Structure of the GlfT2 Galactofuranosyltransferase Reveals a Scaffold for the Assembly of Mycobacterial Arabinogalactan.
J.Biol.Chem., 287, 2012
3GXP
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BU of 3gxp by Molmil
Crystal structure of acid-alpha-galactosidase A complexed with galactose at pH 4.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ...
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-06-26
Release date:2012-08-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
6EZ9
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BU of 6ez9 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372
Descriptor: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Novakova, Z, Motlova, L.
Deposit date:2017-11-14
Release date:2018-12-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
1RF2
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BU of 1rf2 by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
Descriptor: 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
Authors:Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
Deposit date:2003-11-07
Release date:2004-10-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
2HX0
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BU of 2hx0 by Molmil
Three-dimensional structure of the hypothetical protein from Salmonella cholerae-suis (aka Salmonella enterica) at the resolution 1.55 A. Northeast Structural Genomics target ScR59.
Descriptor: MAGNESIUM ION, Putative DNA-binding protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Shastry, R, Conover, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-08-02
Release date:2006-09-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Three-dimensional structure of the hypothetical protein from Salmonella cholerae-suis (aka Salmonella enterica) at the resolution 1.55 A. Northeast Structural Genomics target ScR59.
To be Published
2HY3
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BU of 2hy3 by Molmil
Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-08-04
Release date:2006-09-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2FYF
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BU of 2fyf by Molmil
Structure of a putative phosphoserine aminotransferase from Mycobacterium Tuberculosis
Descriptor: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, ...
Authors:Coulibaly, F, Lassalle, E, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-02-07
Release date:2007-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 68, 2012
5POP
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BU of 5pop by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10987a
Descriptor: 1,2-ETHANEDIOL, 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one, Bromodomain-containing protein 1, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
1RJN
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BU of 1rjn by Molmil
The Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis in Complex with the CoA Portion of Naphthoyl CoA
Descriptor: 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, COENZYME A, menB
Authors:Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-11-19
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms.
Acta Crystallogr.,Sect.D, 61, 2005
2FZ5
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BU of 2fz5 by Molmil
Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavodoxin
Authors:van Mierlo, C.P.M, Lijnzaad, P, Vervoort, J, Mueller, F, Berendsen, H.J, de Vlieg, J.
Deposit date:2006-02-09
Release date:2006-03-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H NMR and restrained molecular dynamics
Eur.J.Biochem., 194, 1990
2FYS
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BU of 2fys by Molmil
Crystal structure of Erk2 complex with KIM peptide derived from MKP3
Descriptor: Dual specificity protein phosphatase 6, Mitogen-activated protein kinase 1
Authors:Liu, S, Sun, J.P, Zhou, B, Zhang, Z.Y.
Deposit date:2006-02-08
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3
Proc.Natl.Acad.Sci.Usa, 103, 2006
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
3OFU
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BU of 3ofu by Molmil
Crystal Structure of Cytochrome P450 CYP101C1
Descriptor: (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z.
Deposit date:2010-08-16
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.
Chembiochem, 12, 2011
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Authors:Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
5EAH
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BU of 5eah by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole
Descriptor: 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, ...
Authors:Tyndall, J.D.A, Sabherwal, M, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
Deposit date:2015-10-16
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
1AAY
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BU of 1aay by Molmil
ZIF268 ZINC FINGER-DNA COMPLEX
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (ZIF268 ZINC FINGER PEPTIDE), ...
Authors:Elrod-Erickson, M, Rould, M.A, Pabo, C.O.
Deposit date:1997-01-18
Release date:1997-04-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Zif268 protein-DNA complex refined at 1.6 A: a model system for understanding zinc finger-DNA interactions.
Structure, 4, 1996

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數據於2025-12-03公開中

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