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6TB3
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BU of 6tb3 by Molmil
yeast 80S ribosome in complex with the Not5 subunit of the CCR4-NOT complex
Descriptor: 25S rRNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R.
Deposit date:2019-10-31
Release date:2020-04-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
Descriptor: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
Authors:Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
2ICP
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BU of 2icp by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 4.0. Northeast Structural Genomics Consortium TARGET ER390.
Descriptor: MAGNESIUM ION, antitoxin higa
Authors:Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of the bacterial antitoxin HigA from Escherichia coli.
To be Published
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
Descriptor: antitoxin higa
Authors:Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2ID6
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BU of 2id6 by Molmil
Crystal structure of transcriptional regulator (tm1030) at 1.75A resolution
Descriptor: 1,2-ETHANEDIOL, TRANSCRIPTIONAL REGULATOR, TetR FAMILY
Authors:Koclega, K.D, Chruszcz, M, Minor, W.
Deposit date:2006-09-14
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:Crystal structure of transcriptional regulator (tm1030) at 1.75A resolution
To be Published
3NBP
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BU of 3nbp by Molmil
HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2
Descriptor: 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2010-06-03
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
1KNU
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BU of 1knu by Molmil
LIGAND BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA IN COMPLEX WITH A SYNTHETIC AGONIST
Descriptor: (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
Authors:Svensson, L.A, Mortensen, S.B, Fleckner, J, Woeldike, H.F.
Deposit date:2001-12-19
Release date:2002-12-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel tricyclic-alpha-alkyloxyphenylpropionic acids: dual PPARalpha/gamma agonists with hypolipidemic and antidiabetic activity
J.MED.CHEM., 45, 2002
3NWW
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BU of 3nww by Molmil
P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
Descriptor: 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-07-12
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
Descriptor: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
4V8X
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BU of 4v8x by Molmil
Structure of Thermus thermophilus ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Feng, S, Chen, Y, Kamada, K, Wang, H, Tang, K, Wang, M, Gao, Y.G.
Deposit date:2013-07-19
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Yoeb-Ribosome Structure: A Canonical Rnase that Requires the Ribosome for its Specific Activity.
Nucleic Acids Res., 41, 2013
5VQT
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BU of 5vqt by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor
Descriptor: 2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Czyzyk, D.J, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.556 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2WBR
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BU of 2wbr by Molmil
The RRM domain in GW182 proteins contributes to miRNA-mediated gene silencing
Descriptor: GW182
Authors:Eulalio, A, Tritschler, F, Buettner, R, Weichenrieder, O, Izaurralde, E, Truffault, V.
Deposit date:2009-03-03
Release date:2009-03-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Rrm Domain in Gw182 Proteins Contributes to Mirna-Mediated Gene Silencing.
Nucleic Acids Res., 37, 2009
4LSN
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BU of 4lsn by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Gray, W.T, Frey, K.M, Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
5VQV
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BU of 5vqv by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VQQ
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BU of 5vqq by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide (JLJ683), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VQY
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BU of 5vqy by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylpropanamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4LS9
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BU of 4ls9 by Molmil
Structure of mycobacterial nrnA homolog reveals multifunctional nuclease activities
Descriptor: DHH family protein, GLYCEROL, MANGANESE (II) ION
Authors:Kumar, D, Srivastav, R, Grover, A, Manjasetty, B.A, Sharma, R, Taneja, B.
Deposit date:2013-07-22
Release date:2014-07-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique subunit packing in mycobacterial nanoRNase leads to alternate substrate recognitions in DHH phosphodiesterases
Nucleic Acids Res., 42, 2014
4LSL
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BU of 4lsl by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
4MFB
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BU of 4mfb by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2013-08-27
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.
J.Am.Chem.Soc., 135, 2013
4R8H
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BU of 4r8h by Molmil
The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein
Descriptor: 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, GLYCEROL, cAMP-activated global transcriptional regulator CRP
Authors:Townsend, P.D, Pohl, E, McLeish, T.C.B, Rodgers, T.L, Glover, L.C, Korhonen, H.J, Wilson, M.R, Hodgson, D.R.W, Cann, M.J.
Deposit date:2014-09-02
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein.
J.Biol.Chem., 290, 2015
6TBL
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BU of 6tbl by Molmil
Crystal structure of MMS19(CTD)-CIAO1-CIAO2B CIA targeting complex
Descriptor: 1,2-ETHANEDIOL, MIP18 family protein galla-2, MMS19 nucleotide excision repair protein homolog, ...
Authors:Kassube, S.A, Thoma, N.H.
Deposit date:2019-11-01
Release date:2020-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
6TBN
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BU of 6tbn by Molmil
Crystal structure of CIAO1-CIAO2B CIA core complex
Descriptor: MIP18 family protein galla-2, Probable cytosolic iron-sulfur protein assembly protein Ciao1, SODIUM ION
Authors:Kassube, S.A, Thoma, N.H.
Deposit date:2019-11-01
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
8WSV
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BU of 8wsv by Molmil
Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Descriptor: P-HYDROXYBENZOIC ACID, Transcriptional regulator HosA
Authors:Goswami, A, Raju, R, Kasarla, M, Ullah, S.
Deposit date:2023-10-17
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Biorxiv, 2024
8XB7
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BU of 8xb7 by Molmil
HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.6 angstrom resolution
Descriptor: P-HYDROXYBENZOIC ACID, Transcriptional regulator HosA
Authors:Goswami, A, Raju, R, Kasarla, M.
Deposit date:2023-12-06
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pre-binding structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) in presence of sub optimal concentration of 4-hydroxy benzoic acid
Biorxiv, 2024
8Y7E
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BU of 8y7e by Molmil
Cryo-EM Structure of the human minor pre-B complex (pre-precatalytic spliceosome) U12 snRNP part
Descriptor: PHD finger-like domain-containing protein 5A, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ...
Authors:Bai, R, Yuan, M, Zhang, P, Luo, T, Shi, Y, Wan, R.
Deposit date:2024-02-04
Release date:2024-03-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.66 Å)
Cite:Structural basis of U12-type intron engagement by the fully assembled human minor spliceosome.
Science, 383, 2024

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