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4O28
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BU of 4o28 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-17
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O18
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BU of 4o18 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1A
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BU of 4o1a by Molmil
The crystal structure of the mutant NAMPT G217R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1B
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BU of 4o1b by Molmil
The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
6N4O
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BU of 6n4o by Molmil
Human Argonaute2-miR-122 bound to a seed and supplementary paired target
Descriptor: Protein argonaute-2, RNA (5'-R(*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-11-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Beyond the seed: structural basis for supplementary microRNA targeting by human Argonaute2.
Embo J., 38, 2019
7VEH
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BU of 7veh by Molmil
Type I-F Anti-CRISPR protein AcrIF13
Descriptor: AcrIF13
Authors:Gao, T, Feng, Y.
Deposit date:2021-09-08
Release date:2022-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
Descriptor: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
Authors:Lu, M.
Deposit date:2023-01-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
Descriptor: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
Descriptor: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
5XKU
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BU of 5xku by Molmil
Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ...
Authors:Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q.
Deposit date:2017-05-09
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
2MWA
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BU of 2mwa by Molmil
NMR structure of FBP28 WW2 mutant Y446L
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MWF
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BU of 2mwf by Molmil
NMR structure of FBP28 WW2 mutant Y438R DN
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-04
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MWB
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BU of 2mwb by Molmil
FBP28 WW2 mutant W457F
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MWD
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BU of 2mwd by Molmil
NMR structure of FBP28 WW2 mutant Y438R DNDC
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-04
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MWE
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BU of 2mwe by Molmil
NMR structure of FBP28 WW2 mutant Y438R, L453A DNDC
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-04
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MW9
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BU of 2mw9 by Molmil
NMR structure of FBP28 WW2 Y438R mutant
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
7X0L
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BU of 7x0l by Molmil
Crystal structure of sugar binding protein CbpB complexed wtih cellotetraose from Clostridium thermocellum
Descriptor: CbpB, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0H
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BU of 7x0h by Molmil
Crystal structure of sugar binding protein CbpA complexed wtih glucose from Clostridium thermocellum
Descriptor: CbpA, beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0P
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BU of 7x0p by Molmil
Crystal structure of sugar binding protein CbpD from Clostridium thermocellum
Descriptor: CbpD
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0G
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BU of 7x0g by Molmil
Crystal structure of sugar binding protein CbpA from Clostridium thermocellum
Descriptor: CbpA
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0K
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BU of 7x0k by Molmil
Crystal structure of sugar binding protein CbpB complexed wtih cellotriose from Clostridium thermocellum
Descriptor: CpbB, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2022-11-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0O
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BU of 7x0o by Molmil
Crystal structure of sugar binding protein CbpC from Clostridium thermocellum
Descriptor: CbpC
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0Q
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BU of 7x0q by Molmil
Crystal structure of ATPase Clo1313_2554 from Clostridium thermocellum
Descriptor: ABC transporter related protein
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022

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