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4RMM
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BU of 4rmm by Molmil
Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR191
Descriptor: Putative uncharacterized protein
Authors:Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-10-21
Release date:2014-11-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum.
To be Published
7MNG
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BU of 7mng by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
Descriptor: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
1R7X
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BU of 1r7x by Molmil
Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
Authors:Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:2003-10-22
Release date:2004-02-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
3TNF
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BU of 3tnf by Molmil
LidA from Legionella in complex with active Rab8a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, LidA, MAGNESIUM ION, ...
Authors:Schoebel, S, Cichy, A.L, Goody, R.S, Itzen, A.
Deposit date:2011-09-01
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protein LidA from Legionella is a Rab GTPase supereffector.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RRU
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BU of 3rru by Molmil
X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
Descriptor: TOM1L1 protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Ciccosanti, C, Patel, D, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-30
Release date:2011-06-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
To be Published
1R7T
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BU of 1r7t by Molmil
Glycosyltransferase A in complex with 3-deoxy-acceptor analog inhibitor
Descriptor: Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside
Authors:Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:2003-10-22
Release date:2004-02-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
1R8P
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BU of 1r8p by Molmil
HPV-16 E2C solution structure
Descriptor: Regulatory protein E2
Authors:Nadra, A.D, Eliseo, T, Cicero, D.O.
Deposit date:2003-10-28
Release date:2004-11-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the HPV-16 E2 DNA binding domain, a transcriptional regulator with a dimeric beta-barrel fold
J.Biomol.NMR, 30, 2004
1R7U
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BU of 1r7u by Molmil
Glycosyltransferase B in complex with 3-deoxy-acceptor analog inhibitor
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside
Authors:Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:2003-10-22
Release date:2004-02-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
1R82
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BU of 1r82 by Molmil
Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor, and uridine diphosphate-galactose
Descriptor: GALACTOSE-URIDINE-5'-DIPHOSPHATE, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, ...
Authors:Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:2003-10-22
Release date:2004-02-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
4RBR
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BU of 4rbr by Molmil
Crystal structure of Repressor of Toxin (Rot), a central regulator of Staphylococcus aureus virulence
Descriptor: CHLORIDE ION, HTH-type transcriptional regulator rot
Authors:Killikelly, A, Jakoncic, J, Sampson, J.M, Kong, X.-P.
Deposit date:2014-09-12
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Functional Characterization of Repressor of Toxin (Rot), a Central Regulator of Staphylococcus aureus Virulence.
J.Bacteriol., 197, 2015
4FEK
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BU of 4fek by Molmil
Crystal Structure of putative diflavin flavoprotein A 5 (fragment 1-254) from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR435A , Northeast Structural Genomics Consortium (NESG) Target NsR435A
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-30
Release date:2012-07-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Northeast Structural Genomics Consortium Target NsR435A
To be Published
3QB8
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BU of 3qb8 by Molmil
Paramecium Chlorella Bursaria Virus1 Putative ORF A654L is a Polyamine Acetyltransferase
Descriptor: A654L protein, COENZYME A, IMIDAZOLE
Authors:Charlop-Powers, Z, Zhou, M.-M, Jakoncic, J, Gurnon, J, Van Etten, J.
Deposit date:2011-01-12
Release date:2012-01-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Paramecium bursaria chlorella virus 1 encodes a polyamine acetyltransferase.
J. Biol. Chem., 287, 2012
3U07
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BU of 3u07 by Molmil
Crystal Structure of the VPA0106 protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium Target VpR106.
Descriptor: uncharacterized protein VPA0106
Authors:Vorobiev, S, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-28
Release date:2011-10-12
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Crystal Structure of the VPA0106 protein from Vibrio parahaemolyticus.
To be Published
1RG6
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BU of 1rg6 by Molmil
Solution structure of the C-terminal domain of p63
Descriptor: second splice variant p63
Authors:Cadot, B, Candi, E, Cicero, D.O, Desideri, A, Mele, S, Melino, G, Paci, M.
Deposit date:2003-11-11
Release date:2004-11-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of p63
To be Published
4FBL
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BU of 4fbl by Molmil
LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families
Descriptor: CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE
Authors:Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE)
Deposit date:2012-05-23
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
3U4T
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BU of 3u4t by Molmil
Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target ChR11B.
Descriptor: TPR repeat-containing protein
Authors:Vorobiev, S, Neely, H, Chen, Y, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-10
Release date:2011-10-19
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii.
To be Published
3RD6
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BU of 3rd6 by Molmil
Crystal structure of Mll3558 protein from Rhizobium loti. Northeast Structural Genomics Consortium target id MlR403
Descriptor: Mll3558 protein
Authors:Seetharaman, J, Chen, Y, Wang, D, Ciccosanti, C, Sahdev, S, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-01
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Mll3558 protein from Rhizobium loti. Northeast Structural Genomics Consortium target id MlR403
To be Published
3RD4
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BU of 3rd4 by Molmil
Crystal structure of PROPEN_03304 from Proteus penneri ATCC 35198 Northeast Structural Genomics Consortium target id PvR55
Descriptor: uncharacterized protein
Authors:Seetharaman, J, Min, S, Kuzin, A, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-03-31
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of PROPEN_03304 from Proteus penneri ATCC 35198 Northeast Structural Genomics Consortium target id PvR55
To be Published
4FCZ
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BU of 4fcz by Molmil
Crystal Structure of Toluene-tolerance protein from Pseudomonas putida (strain KT2440), Northeast Structural Genomics Consortium (NESG) Target PpR99
Descriptor: Toluene-tolerance protein
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-25
Release date:2013-02-13
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Northeast Structural Genomics Consortium Target PpR99
To be Published
2Y7A
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BU of 2y7a by Molmil
Crystal structure of unliganded GTB P156L
Descriptor: ABO GLYCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Weadge, J, Palcic, M.M, Henriksen, A.
Deposit date:2011-01-31
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and Biochemical Characterization of the Human Blood Group a and B Galactosyltransferases Possessing the Pro156Leu Mutation
To be Published
4FFD
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BU of 4ffd by Molmil
Crystal structure of engineered protein. northeast structural genomics consortium target or48
Descriptor: MAGNESIUM ION, PF00702 DOMAIN PROTEIN
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-31
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of engineered protein. northeast structural genomics consortium target or48
To be Published
3QY4
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BU of 3qy4 by Molmil
Crystallization and in situ data collection of Lysozyme using the Crystal Former
Descriptor: Lysozyme C
Authors:Stojanoff, V, Jankoncic, J, Sommer, M.O.A.
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallization and in situ data collection of Lysozyme using the Crystal Former
TO BE PUBLISHED
3QSZ
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BU of 3qsz by Molmil
Crystal Structure of the STAR-related lipid transfer protein (fragment 25-204) from Xanthomonas axonopodis at the resolution 2.4A, Northeast Structural Genomics Consortium Target XaR342
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, STAR-related lipid transfer protein, ...
Authors:Kuzin, A.P, Su, M, Vorobiev, S.M, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-02-22
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:Northeast Structural Genomics Consortium Target XaR342
To be Published
1R7Y
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BU of 1r7y by Molmil
Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate
Descriptor: Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V.
Deposit date:2003-10-22
Release date:2004-02-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
1SB1
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BU of 1sb1 by Molmil
Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics
Descriptor: N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ...
Authors:Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D.
Deposit date:2004-02-09
Release date:2004-06-08
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004

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