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6BWH
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BU of 6bwh by Molmil
Crystal structure of Mycoibacterium tuberculosis Rv2983 in complex with PEP
Descriptor: 2-phospho-L-lactate guanylyltransferase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
Authors:Bashiri, G, Jirgis, E.N.M, Baker, E.N.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
6E6L
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BU of 6e6l by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F:Y60A mutant of human cellular retinol binding protein II
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-25
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
2D25
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BU of 2d25 by Molmil
C-C-A-G-G-C-M5C-T-G-G; HELICAL FINE STRUCTURE, HYDRATION, AND COMPARISON WITH C-C-A-G-G-C-C-T-G-G
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3'), MAGNESIUM ION
Authors:Heinemann, U, Hahn, M.
Deposit date:1991-04-23
Release date:1991-04-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:C-C-A-G-G-C-m5C-T-G-G. Helical fine structure, hydration, and comparison with C-C-A-G-G-C-C-T-G-G.
J.Biol.Chem., 267, 1992
6MLB
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BU of 6mlb by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F mutant of human cellular retinol binding protein II
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-27
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6TU3
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BU of 6tu3 by Molmil
Rat 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Deshmukh, F.K, Polkinghorn, C.R, Elad, N, Sharon, M.
Deposit date:2020-01-02
Release date:2020-05-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Comparative Structural Analysis of 20S Proteasome Ortholog Protein Complexes by Native Mass Spectrometry.
Acs Cent.Sci., 6, 2020
6ARJ
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BU of 6arj by Molmil
Crystal structure of CARM1 with EPZ022302 and SAH
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Boriack-Sjodin, P.A, Jin, L.
Deposit date:2017-08-22
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
6E5R
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BU of 6e5r by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-22
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
Descriptor: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
Descriptor: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Huang, X.
Deposit date:2010-01-05
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
1W33
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BU of 1w33 by Molmil
BbCRASP-1 from Borrelia Burgdorferi
Descriptor: BBCRASP-1, GLYCEROL
Authors:Cordes, F.S, Roversi, P, Goodstadt, L, Ponting, C, Kraiczy, P, Skerka, C, Kirschfink, M, Simon, M.M, Brade, V, Zipfel, P, Wallich, R, Lea, S.M.
Deposit date:2004-07-13
Release date:2005-02-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Novel Fold for the Factor H-Binding Protein Bbcrasp-1 of Borrelia Burgdorferi
Nat.Struct.Mol.Biol., 12, 2005
4BD7
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BU of 4bd7 by Molmil
Bax domain swapped dimer induced by octylmaltoside
Descriptor: APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4BKQ
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BU of 4bkq by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519
Authors:Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
Deposit date:2013-04-29
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
122D
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BU of 122d by Molmil
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3')
Authors:Hahn, M, Heinemann, U.
Deposit date:1993-05-03
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DNA helix structure and refinement algorithm: comparison of models for d(CCAGGCm5CTGG) derived from NUCLSQ, TNT and X-PLOR.
Acta Crystallogr.,Sect.D, 49, 1993
123D
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BU of 123d by Molmil
DNA HELIX STRUCTURE AND REFINEMENT ALGORITHM: COMPARISON OF MODELS FOR D(CCAGGCM==5==CTGG) DERIVED FROM NUCLSQ, TNT, AND X-PLOR
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3')
Authors:Hahn, M, Heinemann, U.
Deposit date:1993-05-03
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DNA helix structure and refinement algorithm: comparison of models for d(CCAGGCm5CTGG) derived from NUCLSQ, TNT and X-PLOR.
Acta Crystallogr.,Sect.D, 49, 1993
5DX1
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BU of 5dx1 by Molmil
Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, PABP1 peptide, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-23
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
1NDA
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BU of 1nda by Molmil
THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE
Authors:Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L.
Deposit date:1993-07-02
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
6RR5
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BU of 6rr5 by Molmil
Structure of 50% reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RPD
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BU of 6rpd by Molmil
Structure of ferrous KpDyP in complex with cyanide
Descriptor: CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-14
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.33 IgG heavy chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU8
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BU of 7ru8 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU3
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BU of 7ru3 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU2
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BU of 7ru2 by Molmil
SARS-CoV-2-6P-Mut7 S protein (asymmetric)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022

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