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4LQM
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BU of 4lqm by Molmil
EGFR L858R in complex with PD168393
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Yun, C.H, Eck, M.J.
Deposit date:2013-07-19
Release date:2014-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural, Biochemical, and Clinical Characterization of Epidermal Growth Factor Receptor (EGFR) Exon 20 Insertion Mutations in Lung Cancer.
Sci Transl Med, 5, 2013
4LQW
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BU of 4lqw by Molmil
Crystal structure of HIV-1 capsid N-terminal domain in complex with NUP358 cyclophilin
Descriptor: Capsid protein p24, E3 SUMO-protein ligase RanBP2
Authors:Price, A.J, James, L.C.
Deposit date:2013-07-19
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV-1 capsid undergoes coupled binding and isomerization by the nuclear pore protein NUP358.
Retrovirology, 10, 2013
5JBT
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BU of 5jbt by Molmil
Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2)
Descriptor: Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ...
Authors:Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S.
Deposit date:2016-04-13
Release date:2016-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
4M65
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BU of 4m65 by Molmil
In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ...
Authors:Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
5JCI
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BU of 5jci by Molmil
Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Os09g0567300 protein
Authors:Park, A.K, Kim, H.W.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6, 2016
5M03
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BU of 5m03 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
1D3A
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BU of 1d3a by Molmil
CRYSTAL STRUCTURE OF THE WILD TYPE HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM
Descriptor: CHLORIDE ION, HALOPHILIC MALATE DEHYDROGENASE, SODIUM ION
Authors:Richard, S.B, Madern, D, Garcin, E, Zaccai, G.
Deposit date:1999-09-28
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Halophilic adaptation: novel solvent protein interactions observed in the 2.9 and 2.6 A resolution structures of the wild type and a mutant of malate dehydrogenase from Haloarcula marismortui.
Biochemistry, 39, 2000
4LRC
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BU of 4lrc by Molmil
Phosphopentomutase V158L variant
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
Deposit date:2013-07-19
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LRN
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BU of 4lrn by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV antibody 4E10
Descriptor: GEP 1 heavy chain, GEP 1 light chain
Authors:Finton, K.A.K.
Deposit date:2013-07-20
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
5JCM
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BU of 5jcm by Molmil
Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ISOASCORBIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Park, A.K, Kim, H.W.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6, 2016
4LRZ
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BU of 4lrz by Molmil
Crystal Structure of the E.coli DhaR(N)-DhaL complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-dependent dihydroxyacetone kinase operon regulatory protein, ...
Authors:Shi, R, McDonald, L, Cygler, M, Ekiel, I.
Deposit date:2013-07-21
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Structure, 22, 2014
5TJ8
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BU of 5tj8 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed)
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
4M7G
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BU of 4m7g by Molmil
Streptomyces Erythraeus Trypsin
Descriptor: Trypsin-like protease
Authors:Blankenship, E, Vukoti, K, Miyagi, M, Lodowski, D.T.
Deposit date:2013-08-12
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Conformational flexibility in the catalytic triad revealed by the high-resolution crystal structure of Streptomyces erythraeus trypsin in an unliganded state.
Acta Crystallogr.,Sect.D, 70, 2014
4M7Z
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BU of 4m7z by Molmil
Unliganded 1 crystal structure of S25-26 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
Deposit date:2013-08-12
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
Descriptor: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E, Popov, A.
Deposit date:2016-10-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
4LTQ
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BU of 4ltq by Molmil
Bacterial sodium channel in low calcium, P42 space group
Descriptor: Ion transport protein
Authors:Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L.
Deposit date:2013-07-23
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
4LUY
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BU of 4luy by Molmil
Crystal structure of CdALR mutant K 271 T
Descriptor: Alanine racemase
Authors:Asojo, O.A.
Deposit date:2013-07-25
Release date:2014-06-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.
Acta Crystallogr.,Sect.D, 70, 2014
4LVI
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BU of 4lvi by Molmil
MobM Relaxase Domain (MOBV; Mob_Pre) bound to plasmid pMV158 oriT DNA (22nt). Mn-bound crystal structure at pH 4.6
Descriptor: ACTTTAT oligonucleotide, ATAAAGTATAGTGTG oligonucleotide, GLYCEROL, ...
Authors:Pluta, R, Boer, D.R, Coll, M.
Deposit date:2013-07-26
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4MAQ
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BU of 4maq by Molmil
Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, Putative fumarylpyruvate hydrolase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-16
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia
To be Published
4LVL
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BU of 4lvl by Molmil
MobM Relaxase Domain (MOBV; Mob_Pre) bound to plasmid pMV158 oriT DNA (22nt+3'Thiophosphate). Mn-bound crystal structure at pH 6.8
Descriptor: CHLORIDE ION, DNA (5'-D(*AP*CP*TP*TP*TP*AP*T)-3'), DNA (5'-D(*AP*TP*AP*AP*AP*GP*TP*AP*TP*AP*GP*TP*GP*TP*GP*(TS6))-3'), ...
Authors:Pluta, R, Boer, D.R, Coll, M.
Deposit date:2013-07-26
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5JHK
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BU of 5jhk by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-6 ligand.
Descriptor: N-(benzenecarbonyl)glycyl-L-arginine, Neuropilin-1
Authors:Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
Deposit date:2016-04-21
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
4MBK
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BU of 4mbk by Molmil
Crystal structure of K234R inhibitor-resistant variant of SHV beta-lactamase in complex with SA2-13
Descriptor: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2013-08-19
Release date:2014-07-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
5J62
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BU of 5j62 by Molmil
FMN-dependent Nitroreductase (CDR20291_0684) from Clostridium difficile R20291
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Wang, B, Powell, S.M, Hessami, N, Najar, F.Z, Thomas, L.M, West, A.H, Karr, E.A, Richter-Addo, G.B.
Deposit date:2016-04-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of two nitroreductases from hypervirulent Clostridium difficile and functionally related interactions with the antibiotic metronidazole.
Nitric Oxide, 60, 2016
5J74
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BU of 5j74 by Molmil
Fluorogen activating protein AM2.2 in complex with TO1-2p
Descriptor: 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium, PHOSPHATE ION, scFv AM2.2
Authors:Stanfield, R.L, Wilson, I.A, Wu, Y.
Deposit date:2016-04-05
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
4MCI
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BU of 4mci by Molmil
Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520.
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Uridine phosphorylase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-21
Release date:2013-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520.
To be Published

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