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6HDT
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BU of 6hdt by Molmil
crystal structure of short afifavidin - biotin complex
Descriptor: BIOTIN, Short afifavidin
Authors:Livnah, O, Avraham, O.
Deposit date:2018-08-19
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of afifavidin reveals common features of molecular assemblage in the bacterial dimeric avidins.
FEBS J., 285, 2018
1H0Y
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BU of 1h0y by Molmil
Structure of Alba: an archaeal chromatin protein modulated by acetylation
Descriptor: DNA BINDING PROTEIN SSO10B, SULFATE ION
Authors:Wardleworth, B.N, Russell, R.J.M, Bell, S.D, Taylor, G.L, White, M.F.
Deposit date:2002-07-01
Release date:2002-09-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Alba: An Archaeal Chromatin Protein Modulated by Acetylation
Embo J., 21, 2002
6HDS
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BU of 6hds by Molmil
Crystal Structure of apo short afifavidin
Descriptor: short afifavidin
Authors:Livnah, O, Avraham, O.
Deposit date:2018-08-19
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of afifavidin reveals common features of molecular assemblage in the bacterial dimeric avidins.
FEBS J., 285, 2018
1GTK
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BU of 1gtk by Molmil
Time-resolved and static-ensemble structural chemistry of hydroxymethylbilane synthase
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, PORPHOBILINOGEN DEAMINASE
Authors:Helliwell, J.R, Nieh, Y.P, Raftery, J, Cassetta, A, Habash, J, Carr, P.D, Ursby, T, Wulff, M, Thompson, A.W, Niemann, A.C, Haedener, A.
Deposit date:2002-01-16
Release date:2003-01-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Time-Resolved and Static-Ensemble Structural Chemistry of Hydroxymethylbilane Synthase
Faraday Discuss., 122, 2003
6HDV
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BU of 6hdv by Molmil
The crystal structure of intact afifavidin apo form
Descriptor: Afifavidin
Authors:Livnah, O, Avraham, O.
Deposit date:2018-08-20
Release date:2018-11-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of afifavidin reveals common features of molecular assemblage in the bacterial dimeric avidins.
FEBS J., 285, 2018
6GOA
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BU of 6goa by Molmil
Structural basis for OXA-48 dimerization - R189A mutant
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Thomassen, A.M, Leiros, H.K.S.
Deposit date:2018-06-01
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
5LIT
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BU of 5lit by Molmil
Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution
Descriptor: 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride, DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION
Authors:Millan, C.R, Dardonville, C, de Koning, H.P, Saperas, N, Lourdes Campos, J.
Deposit date:2016-07-15
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
Authors:McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
Deposit date:2023-02-14
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
8GUH
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BU of 8guh by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Tris
Descriptor: 1,2-ETHANEDIOL, Serine palmitoyltransferase, [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-09-12
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris(hydroxymethyl)aminomethane.
Acta Crystallogr.,Sect.F, 78, 2022
8DTA
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BU of 8dta by Molmil
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Rosenbaum, J.C, Carlson, A.E.
Deposit date:2022-07-25
Release date:2023-07-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Glutathione modulates metal binding to proteins.
TBD
1HLY
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BU of 1hly by Molmil
SOLUTION STRUCTURE OF HONGOTOXIN 1
Descriptor: HONGOTOXIN 1
Authors:Pragl, B, Koschak, A, Trieb, M, Obermair, G, Kaufmann, W.A, Gerster, U, Blanc, E, Hahn, C, Prinz, H, Schutz, G, Darbon, H, Gruber, H.J, Knaus, H.G.
Deposit date:2000-12-04
Release date:2003-09-30
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Synthesis, characterization, and application of cy-dye- and alexa-dye-labeled hongotoxin(1) analogues. The first high affinity fluorescence probes for voltage-gated K+ channels.
BIOCONJUG.CHEM., 13, 2002
6RA6
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BU of 6ra6 by Molmil
Ferric murine neuroglobin Gly-loop44-47/F106A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B.
Deposit date:2019-04-05
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
5OR4
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BU of 5or4 by Molmil
Crystal structure of Aspergillus oryzae catechol oxidase in deoxy-form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Hakulinen, N, Penttinen, L, Rutanen, C, Rouvinen, J.
Deposit date:2017-08-15
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.
PLoS ONE, 13, 2018
1L7E
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BU of 1l7e by Molmil
Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1
Authors:Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D.
Deposit date:2002-03-14
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Transhydrogenase Domain I with and without Bound NADH
Biochemistry, 41, 2002
1L1C
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BU of 1l1c by Molmil
Structure of the LicT Bacterial Antiterminator Protein in Complex with its RNA Target
Descriptor: Transcription antiterminator licT, licT mRNA antiterminator hairpin
Authors:Yang, Y, Declerck, N, Manival, X, Aymerich, S, Kochoyan, M.
Deposit date:2002-02-15
Release date:2002-03-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the LicT-RNA antitermination complex: CAT clamping RAT.
EMBO J., 21, 2002
6MV1
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BU of 6mv1 by Molmil
2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6MV2
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BU of 6mv2 by Molmil
2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)
Descriptor: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
1WD0
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BU of 1wd0 by Molmil
Crystal structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers
Descriptor: 5'-D(*CP*CP*TP*AP*TP*AP*TP*AP*GP*G)-3', DNA-binding proteins 7a/7b/7d
Authors:Ko, T.-P, Chu, H.-M, Chen, C.-Y, Chou, C.-C, Wang, A.H.-J.
Deposit date:2004-05-10
Release date:2004-08-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers.
Acta Crystallogr.,Sect.D, 60, 2004
6PRC
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BU of 6prc by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (DG-420314 (TRIAZINE) COMPLEX)
Descriptor: 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ...
Authors:Lancaster, C.R.D, Michel, H.
Deposit date:1997-07-31
Release date:1999-04-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.
J.Mol.Biol., 286, 1999
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
1WD1
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BU of 1wd1 by Molmil
Crystal structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers
Descriptor: 5'-D(*CP*CP*TP*AP*CP*GP*TP*AP*GP*G)-3', DNA-binding proteins 7a/7b/7d
Authors:Ko, T.-P, Chu, H.-M, Chen, C.-Y, Chou, C.-C, Wang, A.H.-J.
Deposit date:2004-05-10
Release date:2004-08-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers.
Acta Crystallogr.,Sect.D, 60, 2004
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
Deposit date:2020-06-18
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
Descriptor: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018

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