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7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
3WL2
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BU of 3wl2 by Molmil
Monoclinic Lysozyme at 0.96 A resolution
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
Authors:Matsumoto, T, Yamano, A, Hasegawa, T, Maeyama, M.
Deposit date:2013-11-06
Release date:2014-11-12
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Evaluation of Rigaku XtaLAB P200
To be Published
1U2H
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BU of 1u2h by Molmil
X-ray Structure of the N-terminally truncated human APEP-1
Descriptor: Aortic preferentially expressed protein 1
Authors:Manjasetty, B.A, Scheich, C, Roske, Y, Niesen, F.H, Gotz, F, Bussow, K, Heinemann, U.
Deposit date:2004-07-19
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1)
Bmc Struct.Biol., 5, 2005
5NLD
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BU of 5nld by Molmil
Chicken GRIFIN (crystallisation pH: 7.5)
Descriptor: Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ruiz, F.M, Romero, A.
Deposit date:2017-04-04
Release date:2018-02-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
7Q0O
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BU of 7q0o by Molmil
E. coli NfsA
Descriptor: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase
Authors:White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I.
Deposit date:2021-10-15
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
3KFF
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BU of 3kff by Molmil
Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole
Descriptor: 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, CHLORIDE ION, ...
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
Descriptor: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4R5R
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BU of 4r5r by Molmil
Crystal structure of Rhodostomin KKKRT mutant
Descriptor: Disintegrin rhodostomin
Authors:Huang, C.H, Shiu, J.H, Chang, Y.T, Jeng, W.Y, Chuang, W.J.
Deposit date:2014-08-21
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Effects of the regions adjacent to the RGD motif in disintegrins on their inhibitory activities and structures
To be Published
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
4F18
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BU of 4f18 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
Descriptor: Putative alkaline phosphatase, hydrogen arsenate
Authors:Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
Deposit date:2012-05-06
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
6F1O
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BU of 6f1o by Molmil
Orthorhombic Lysozyme crystallized at 298 K and pH 4.5
Descriptor: CHLORIDE ION, Lysozyme C, PHOSPHATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-11-22
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
5OUJ
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BU of 5ouj by Molmil
Crystal structure of human AKR1B1 complexed with NADP+ and compound 39
Descriptor: 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
1AHO
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BU of 1aho by Molmil
THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN
Descriptor: TOXIN II
Authors:Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R.
Deposit date:1997-04-08
Release date:1997-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
5F82
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BU of 5f82 by Molmil
Apo GES-5 C69G mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2015-12-08
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
3DW5
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BU of 3dw5 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23S rRNA, U2656-OCH3 modified
Descriptor: Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
5ZJC
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BU of 5zjc by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY41
Descriptor: (2S)-2-methyl-3-sulfanyl-propan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-20
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
3E4G
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BU of 3e4g by Molmil
Crystal structure of bovine coupling Factor B, G28E mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP synthase subunit s, mitochondrial, ...
Authors:Stroud, R.M, Lee, J.K, Belogrudov, G.I.
Deposit date:2008-08-11
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of bovine mitochondrial factor B at 0.96-A resolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7A33
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BU of 7a33 by Molmil
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
Descriptor: FORMIC ACID, Proto-oncogene tyrosine-protein kinase Src, SODIUM ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
To be published
3AGN
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BU of 3agn by Molmil
Crystal Structure of Ustilago sphaerogena Ribonuclease U2 Complexed with adenosine 3'-monophosphate
Descriptor: CALCIUM ION, Ribonuclease U2, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Noguchi, S.
Deposit date:2010-04-03
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Isomerization mechanism of aspartate to isoaspartate implied by structures of Ustilago sphaerogena ribonuclease U2 complexed with adenosine 3'-monophosphate
Acta Crystallogr.,Sect.D, 66, 2010
5ZJ7
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BU of 5zj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY22
Descriptor: (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
8A3G
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BU of 8a3g by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet*
Descriptor: ACETATE ION, SODIUM ION, apCC-Tet*
Authors:Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N.
Deposit date:2022-06-08
Release date:2022-10-05
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
3ZZP
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BU of 3zzp by Molmil
Circular permutant of ribosomal protein S6, lacking edge strand beta- 2 of wild-type S6.
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Saraboji, K, Haglund, E, Lindberg, M.O, Oliveberg, M, Logan, D.T.
Deposit date:2011-09-02
Release date:2011-11-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Trimming Down a Protein Structure to its Bare Foldons: Spatial Organization of the Cooperative Unit.
J.Biol.Chem., 287, 2012
5MOS
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BU of 5mos by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5ZJ1
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BU of 5zj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CYT-14
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published

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