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3O88
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BU of 3o88 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
Descriptor: 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
Deposit date:2010-08-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
4ITA
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BU of 4ita by Molmil
Structure of bacterial enzyme in complex with cofactor
Descriptor: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase
Authors:Rhee, S, Park, J.
Deposit date:2013-01-18
Release date:2013-04-24
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for a Cofactor-dependent Oxidation Protection and Catalysis of Cyanobacterial Succinic Semialdehyde Dehydrogenase.
J.Biol.Chem., 288, 2013
3O8S
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BU of 3o8s by Molmil
Crystal structure of an ADP-ribose pyrophosphatase (SSU98_1448) from STREPTOCOCCUS SUIS 89-1591 at 2.27 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose pyrophosphatase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-03
Release date:2010-08-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of an ADP-ribose pyrophosphatase (SSU98_1448) from STREPTOCOCCUS SUIS 89-1591 at 2.27 A resolution
To be published
2HYK
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BU of 2hyk by Molmil
The crystal structure of an endo-beta-1,3-glucanase from alkaliphilic Nocardiopsis sp.strain F96
Descriptor: Beta-1,3-glucanase, CALCIUM ION, ETHANOL, ...
Authors:Fibriansah, G, Nakamura, S, Kumasaka, T.
Deposit date:2006-08-07
Release date:2007-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The 1.3 A crystal structure of a novel endo-beta-1,3-glucanase of glycoside hydrolase family 16 from alkaliphilic Nocardiopsis sp. strain F96.
Proteins, 69, 2007
4IT3
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BU of 4it3 by Molmil
Crystal Structure of Iml3 from S. cerevisiae
Descriptor: Central kinetochore subunit IML3
Authors:Hinshaw, S.M, Harrison, S.C.
Deposit date:2013-01-17
Release date:2013-10-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:An iml3-chl4 heterodimer links the core centromere to factors required for accurate chromosome segregation.
Cell Rep, 5, 2013
3O9D
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BU of 3o9d by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd19
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
2HYZ
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BU of 2hyz by Molmil
Crystal structure of an 8 repeat consensus TPR superhelix (orthorombic crystal form)
Descriptor: SAMARIUM (III) ION, SYNTHETIC CONSENSUS TPR PROTEIN
Authors:Kajander, T, Cortajarena, A.L, Regan, L.
Deposit date:2006-08-08
Release date:2008-02-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and stability of designed TPR protein superhelices: unusual crystal packing and implications for natural TPR proteins.
Acta Crystallogr.,Sect.D, 63, 2007
4IT9
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BU of 4it9 by Molmil
Structure of Bacterial Enzyme
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Succinate-semialdehyde dehydrogenase
Authors:Rhee, S, Park, J.
Deposit date:2013-01-18
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for a Cofactor-dependent Oxidation Protection and Catalysis of Cyanobacterial Succinic Semialdehyde Dehydrogenase.
J.Biol.Chem., 288, 2013
2P84
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BU of 2p84 by Molmil
Crystal structure of ORF041 from Bacteriophage 37
Descriptor: ORF041
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Bain, K.T, Adams, J.M, Reyes, C, Lau, C, Gilmore, J, Rooney, I, Wasserman, T, Gheyi, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-21
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the hypothetical protein from Staphylococcus phage 37
To be Published
3GPI
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BU of 3gpi by Molmil
Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus
Descriptor: 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase
Authors:Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-23
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus
To be published
3O9I
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BU of 3o9i by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af61
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
2PEN
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BU of 2pen by Molmil
Crystal structure of RbcX, crystal form I
Descriptor: ORF134
Authors:Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2007-04-03
Release date:2007-07-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
3GR4
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BU of 3gr4 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
3ODA
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BU of 3oda by Molmil
Human PARP-1 zinc finger 1 (Zn1) bound to DNA
Descriptor: 5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3', Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Pascal, J.M, Langelier, M.-F.
Deposit date:2010-08-11
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY.
J.Biol.Chem., 286, 2011
3OBT
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BU of 3obt by Molmil
Crystal structure of Botulinum neurotoxin serotype D ligand binding domain in complex with N-Acetylneuraminic acid
Descriptor: Botulinum neurotoxin type D, GLYCEROL, N-acetyl-beta-neuraminic acid
Authors:Lee, K.K, Zong, Y, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
4IWN
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BU of 4iwn by Molmil
Crystal structure of a putative methyltransferase CmoA in complex with a novel SAM derivative
Descriptor: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, tRNA (cmo5U34)-methyltransferase
Authors:Aller, P, Lobley, C.M, Byrne, R.T, Antson, A.A, Waterman, D.G.
Deposit date:2013-01-24
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:S-Adenosyl-S-carboxymethyl-L-homocysteine: a novel cofactor found in the putative tRNA-modifying enzyme CmoA.
Acta Crystallogr.,Sect.D, 69, 2013
2ONV
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BU of 2onv by Molmil
Crystal Structure of the amyloid-fibril forming peptide GGVVIA derived from the Alzheimer's amyloid Abeta (Abeta37-42).
Descriptor: amyloid-fibril forming peptide GGVVIA derived from the Alzheimer's amyloid Abeta
Authors:Sambashivan, S, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
4ONL
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BU of 4onl by Molmil
Crystal structure of human Mms2/Ubc13_D81N, R85S, A122V, N123P
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
3OCY
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BU of 3ocy by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase Complexed with inorganic phosphate
Descriptor: Lipoprotein E, MAGNESIUM ION, PHOSPHATE ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OEO
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BU of 3oeo by Molmil
The crystal structure E. coli Spy
Descriptor: CADMIUM ION, Spheroplast protein Y
Authors:Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K.
Deposit date:2010-08-13
Release date:2010-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
3OD9
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BU of 3od9 by Molmil
Crystal structure of PliI-Ah, periplasmic lysozyme inhibitor of I-type lysozyme from Aeromonas hydrophyla
Descriptor: POTASSIUM ION, Putative exported protein, SODIUM ION
Authors:Leysen, S, Van Herreweghe, J.M, Callewaert, L, Heirbaut, M, Buntinx, P, Michiels, C.W, Strelkov, S.V.
Deposit date:2010-08-11
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.411 Å)
Cite:Molecular Basis of Bacterial Defense against Host Lysozymes: X-ray Structures of Periplasmic Lysozyme Inhibitors PliI and PliC.
J.Mol.Biol., 405, 2011
2PBY
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BU of 2pby by Molmil
Probable Glutaminase from Geobacillus kaustophilus HTA426
Descriptor: Glutaminase
Authors:Dillard, B.D, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Rose, J.P, Wang, B.-C, RIKEN Structural Genomics/Proteomics Initiative (RSGI), Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-03-29
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Glutaminase from Geobacillus kaustophilus HTA426
To be Published
3GVV
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BU of 3gvv by Molmil
Single-chain UROD Y164G (GY) mutation
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P.
Deposit date:2009-03-31
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
3GPP
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BU of 3gpp by Molmil
MutM encountering an intrahelical 8-oxoguanine (oxoG) lesion in EC3-T224P complex
Descriptor: DNA (5'-D(P*CP*GP*TP*CP*CP*(8OG)P*GP*AP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*TP*CP*CP*GP*GP*AP*C)-3'), DNA glycosylase, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2009-03-23
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme.
Nature, 462, 2009
3OGD
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BU of 3ogd by Molmil
AlkA Undamaged DNA Complex: Interrogation of a G*:C base pair
Descriptor: 5'-D(*CP*AP*(BRU)P*GP*AP*CP*(BRU)P*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*CP*AP*TP*G)-3', DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2010-08-16
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010

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