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4PPI
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BU of 4ppi by Molmil
Crystal structure of Bcl-xL hexamer
Descriptor: Bcl-2-like protein 1, GLYCEROL
Authors:Sreekanth, R, Yoon, H.S.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
3HWC
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BU of 3hwc by Molmil
Crystal Structure of Chlorophenol 4-Monooxygenase (TftD) of Burkholderia cepacia AC1100
Descriptor: Chlorophenol-4-monooxygenase component 2
Authors:Ballinger, J.W, Kang, C.H.
Deposit date:2009-06-17
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3K87
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BU of 3k87 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - FAD complex
Descriptor: Chlorophenol-4-monooxygenase component 1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kang, C.H, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
3K86
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BU of 3k86 by Molmil
Crystal structure of NADH:FAD oxidoreductase (TftC) - apo form
Descriptor: Chlorophenol-4-monooxygenase component 1
Authors:Kang, C.H, Webb, B.N.
Deposit date:2009-10-13
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of chlorophenol 4-monooxygenase (TftD) and NADH:FAD oxidoreductase (TftC) of Burkholderia cepacia AC1100.
J.Biol.Chem., 285, 2010
4EDA
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BU of 4eda by Molmil
Structures of monomeric hemagglutinin and its complex with an Fab fragment of a neutralizing antibody that binds to H1 subtype influenza viruses: molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I.
Deposit date:2012-03-27
Release date:2013-05-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Insight into structural diversity of influenza virus haemagglutinin
J.Gen.Virol., 94, 2013
4EDB
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BU of 4edb by Molmil
Structures of monomeric hemagglutinin and its complex with an Fab fragment of a neutralizing antibody that binds to H1 subtype influenza viruses: molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses
Descriptor: Hemagglutinin
Authors:Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I.
Deposit date:2012-03-27
Release date:2013-05-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into structural diversity of influenza virus haemagglutinin
J.Gen.Virol., 94, 2013
1A8Y
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BU of 1a8y by Molmil
CRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION
Descriptor: CALSEQUESTRIN
Authors:Wang, S, Trumble, W.R, Liao, H, Wesson, C.R, Dunker, A.K, Kang, C.
Deposit date:1998-03-31
Release date:1999-03-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of calsequestrin from rabbit skeletal muscle sarcoplasmic reticulum.
Nat.Struct.Biol., 5, 1998
5Y41
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BU of 5y41 by Molmil
Crystal Structure of LIGAND-BOUND NURR1-LBD
Descriptor: (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sreekanth, R, Lescar, J, Yoon, H.S.
Deposit date:2017-07-31
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Nat.Chem.Biol., 2020
5YOF
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BU of 5yof by Molmil
Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
8JVD
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BU of 8jvd by Molmil
Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening
Descriptor: 5-fluoranyl-1,3-benzoxazol-2-amine, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening.
Protein Sci., 33, 2024
8JUC
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BU of 8juc by Molmil
Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening
Descriptor: 1,2-ETHANEDIOL, 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-26
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening.
Protein Sci., 33, 2024
5YOD
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BU of 5yod by Molmil
Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
Descriptor: BENZOIC ACID, NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
8JVE
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BU of 8jve by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
Descriptor: 1,2-ETHANEDIOL, 1-(3-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-28
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
8JVL
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BU of 8jvl by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2023-06-28
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
3AFP
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BU of 3afp by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I)
Descriptor: CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3AFQ
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BU of 3afq by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II)
Descriptor: Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
5GJ4
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BU of 5gj4 by Molmil
Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage
Descriptor: CHLORIDE ION, Serine protease NS3, Serine protease subunit NS2B
Authors:Phoo, W.W, Li, Y.
Deposit date:2016-06-27
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Structure of the NS2B-NS3 protease from Zika virus after self-cleavage.
Nat Commun, 7, 2016
5H4I
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BU of 5h4i by Molmil
Unlinked NS2B-NS3 Protease from Zika Virus in complex with a compound fragment
Descriptor: ACETATE ION, NS2B cofactor, NS3 protease, ...
Authors:Zhang, Z.Z, Li, Y.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
Descriptor: NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2016-08-02
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5H6V
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BU of 5h6v by Molmil
Structure of Zika virus protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, Genome polyprotein
Authors:Zhang, Z, Chen, M.
Deposit date:2016-11-15
Release date:2017-06-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.422 Å)
Cite:Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors
Structure, 25, 2017
2LAV
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BU of 2lav by Molmil
NMR solution structure of human Vaccinia-Related Kinase 1
Descriptor: Vaccinia-related kinase 1
Authors:Shin, J, Yoon, H.S.
Deposit date:2011-03-21
Release date:2011-05-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity.
J.Biol.Chem., 286, 2011
2MHF
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BU of 2mhf by Molmil
Solution structure of the cyclic-nucleotide binding homology domain of a KCNH channel
Descriptor: Uncharacterized protein
Authors:Li, Q, Ng, H.
Deposit date:2013-11-21
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the cyclic-nucleotide binding homology domain of a KCNH channel.
J.Struct.Biol., 186, 2014
5BOC
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BU of 5boc by Molmil
Crystal structure of topoisomerase ParE inhibitor
Descriptor: 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid, DNA topoisomerase 4 subunit B
Authors:Tan, Y.W, Chen, G.Y, Hung, A.W, Hill, J.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-based Drug Discovery against DNA GyraseB
To be published
5BOD
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BU of 5bod by Molmil
Crystal structure of Streptococcus pneumonia ParE inhibitor
Descriptor: (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B
Authors:Tan, Y.W, Chen, G, Hung, A.W, Hill, J.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-based Drug Discovery against DNA GyraseB
to be published
5DQE
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BU of 5dqe by Molmil
Crystal structure of human transcription factor TEAD2 in complex with bromo-fenamic acid
Descriptor: 2-[(3-bromophenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4
Authors:Han, X, Luo, X.
Deposit date:2015-09-14
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Targeting the Central Pocket in Human Transcription Factor TEAD as a Potential Cancer Therapeutic Strategy.
Structure, 23, 2015

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