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PDB: 51787 results

7LBN
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X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor
Descriptor: 3C-like proteinase, Calpain I Inhibitor, SULFATE ION
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-01-08
Release date:2021-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
4HGF
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BU of 4hgf by Molmil
Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene
Descriptor: Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
7LL9
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D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A
Descriptor: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2
Authors:Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
Deposit date:2021-02-03
Release date:2021-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
4ZYG
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Crystal structure of methylated Sulfolobus solfataricus O6-methylguanine methyltransferase
Descriptor: Methylated-DNA--protein-cysteine methyltransferase
Authors:Miggiano, R, Rossi, F, Rizzi, M.
Deposit date:2015-05-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.
Nucleic Acids Res., 43, 2015
4ZZM
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Human ERK2 in complex with an irreversible inhibitor
Descriptor: 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
Authors:Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
Deposit date:2015-04-10
Release date:2015-05-27
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
1LHJ
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BU of 1lhj by Molmil
ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS
Descriptor: HUMAN LYSOZYME
Authors:Inaka, K, Matsushima, M, Herning, T, Kuroki, R, Yutani, K, Kikuchi, M.
Deposit date:1992-03-27
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of proline residues in human lysozyme stability: a scanning calorimetric study combined with X-ray structure analysis of proline mutants.
Biochemistry, 31, 1992
4GS3
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BU of 4gs3 by Molmil
Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tencongensis solved ab initio
Descriptor: Single-stranded DNA-binding protein
Authors:Liebschner, D, Brzezinski, K, Dauter, M, Dauter, Z, Nowak, M, Kur, J, Olszewski, M.
Deposit date:2012-08-27
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio.
Acta Crystallogr.,Sect.D, 68, 2012
7LOP
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BU of 7lop by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV05-163 and CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structural and functional ramifications of antigenic drift in recent SARS-CoV-2 variants.
Science, 373, 2021
1LOU
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BU of 1lou by Molmil
RIBOSOMAL PROTEIN S6
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Otzen, D.E, Kristensen, O, Proctor, M, Oliveberg, M.
Deposit date:1998-11-25
Release date:1998-11-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural changes in the transition state of protein folding: alternative interpretations of curved chevron plots.
Biochemistry, 38, 1999
7LZG
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BU of 7lzg by Molmil
CRYSTAL STRUCTURE OF CBS DOMAIN PROTEIN FROM STREPTOCOCCUS PNEUMONIAE TIGR4
Descriptor: CBS domain protein, PHOSPHATE ION
Authors:Chang, C, Zhou, M, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2021-03-09
Release date:2021-03-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:CRYSTAL STRUCTURE OF CBS DOMAIN PROTEIN FROM STREPTOCOCCUS PNEUMONIAE TIGR4
To Be Published
1LB4
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BU of 1lb4 by Molmil
TRAF6 apo structure
Descriptor: TNF receptor-associated factor 6
Authors:Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
Deposit date:2002-04-02
Release date:2002-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
5AJH
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BU of 5ajh by Molmil
Crystal structure of Fusarium oxysporum cutinase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE
Authors:Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E.
Deposit date:2015-02-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential.
Biochim.Biophys.Acta, 1850, 2015
1LB5
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BU of 1lb5 by Molmil
TRAF6-RANK Complex
Descriptor: TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B
Authors:Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H.
Deposit date:2002-04-02
Release date:2002-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distinct molecular mechanism for initiating TRAF6 signalling.
Nature, 418, 2002
5AEA
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BU of 5aea by Molmil
Crystal structure of human NCAM domain 1
Descriptor: CITRATE ANION, NEURAL CELL ADHESION MOLECULE 1
Authors:Kvansakul, M, Griffiths, K, Foley, M.
Deposit date:2015-08-27
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:I-Bodies, Human Single Domain Antibodies that Antagonize Chemokine Receptor Cxcr4.
J.Biol.Chem., 291, 2016
4BQL
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BU of 4bql by Molmil
Crystal structure of archaeal actin
Descriptor: ACTIN/ACTIN FAMILY PROTEIN, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Lindaas, A.-C, Chruszsz, M, Bernander, R, Valegard, K.
Deposit date:2013-05-31
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structure of Crenactin, an Archaeal Actin Homologue Active at 90Degc.
Acta Crystallogr.,Sect.D, 70, 2014
7LKE
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BU of 7lke by Molmil
X-ray crystal structure of the SARS-CoV-2 main protease in space group C2
Descriptor: 3C-like proteinase
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-02-02
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
7LKD
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BU of 7lkd by Molmil
X-ray crystal structure of the SARS-CoV-2 main protease in space group P21.
Descriptor: 3C-like proteinase
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-02-02
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
4HGG
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BU of 4hgg by Molmil
Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
3HNG
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BU of 3hng by Molmil
Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
Descriptor: CHLORIDE ION, N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide, Vascular endothelial growth factor receptor 1
Authors:Tresaugues, L, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Kragh-Nielsen, T, Kotzch, A, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-05-31
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
To be Published
1KHP
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BU of 1khp by Molmil
Monoclinic form of papain/ZLFG-DAM covalent complex
Descriptor: Papain, peptidic inhibitor
Authors:Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
Deposit date:2001-11-30
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
4H77
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Crystal structure of haloalkane dehalogenase LinB from Sphingobium sp. MI1205
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Okai, M, Ohtsuka, J, Imai, F.L, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M.
Deposit date:2012-09-20
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
4H7J
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Crystal structure of haloalkane dehalogenase LinB H247A mutant from Sphingobium sp. MI1205
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M.
Deposit date:2012-09-20
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
1KVY
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BU of 1kvy by Molmil
CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT D49E COORDINATED TO CALCIUM
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1998-04-29
Release date:1998-11-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
4HD6
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BU of 4hd6 by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant soaked in CuSO4
Descriptor: COPPER (II) ION, Tyrosinase
Authors:Goldfeder, M, Kanteev, M, Adir, N, Fishman, A.
Deposit date:2012-10-02
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Influencing the monophenolase/diphenolase activity ratio in tyrosinase.
Biochim.Biophys.Acta, 1834, 2013
4HGJ
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BU of 4hgj by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013

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