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6VTW
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BU of 6vtw by Molmil
De novo protein design enables the precise induction of RSV-neutralizing antibodies
Descriptor: 101F Fab Heavy Chain, 101F Fab Light Chain, S4_2.45
Authors:Jardetzky, T, Correia, B.
Deposit date:2020-02-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
5YJZ
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BU of 5yjz by Molmil
The native crystal structure of Rv3197 from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Probable conserved ATP-binding protein ABC transporter, SULFATE ION
Authors:Zhang, Q.Q, Rao, Z.H.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK1
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BU of 5yk1 by Molmil
The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis
Descriptor: GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable conserved ATP-binding protein ABC transporter, ...
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK2
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BU of 5yk2 by Molmil
The complex structure of Rv3197-erythromycin from Mycobacterium tuberculosis
Descriptor: ERYTHROMYCIN A, Probable conserved ATP-binding protein ABC transporter
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK0
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BU of 5yk0 by Molmil
The complex structure of Rv3197-ADP from Mycobacterium tuberculosis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Probable conserved ATP-binding protein ABC transporter, ...
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5WSP
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BU of 5wsp by Molmil
Crystal structure of DNA3 duplex
Descriptor: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), STRONTIUM ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSR
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BU of 5wsr by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex
Descriptor: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSQ
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BU of 5wsq by Molmil
Crystal structure of C-Hg-T pair containing DNA duplex
Descriptor: 1,3-PROPANDIOL, DNA (5'-D(*GP*CP*CP*CP*GP*TP*GP*C)-3'), MERCURY (II) ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSS
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BU of 5wss by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex in the presence Ba2+
Descriptor: BARIUM ION, DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XSR
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BU of 5xsr by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
8R79
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BU of 8r79 by Molmil
The D2 domain of human DTX3L
Descriptor: E3 ubiquitin-protein ligase DTX3L, SULFATE ION
Authors:Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T.
Deposit date:2023-11-24
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Biorxiv, 2023
6A6X
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BU of 6a6x by Molmil
The crystal structure of the Mtb MazE-MazF-mt9 complex
Descriptor: Antitoxin MazE7, Probable endoribonuclease MazF7, SULFATE ION
Authors:Xie, W, Chen, R, Tu, J.
Deposit date:2018-06-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Characterization of the Cognate and Heterologous Interactions of the MazEF-mt9 TA System.
Acs Infect Dis., 5, 2019
5Z2N
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BU of 5z2n by Molmil
Structure of Orp1L N-terminal Domain
Descriptor: Oxysterol-binding protein-related protein 1
Authors:Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H.
Deposit date:2018-01-03
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
5Z2M
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BU of 5z2m by Molmil
Structure of Orp1L/Rab7 complex
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Oxysterol-binding protein-related protein 1, ...
Authors:Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H.
Deposit date:2018-01-03
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
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
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
2MB9
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BU of 2mb9 by Molmil
Human Bcl10 CARD
Descriptor: B-cell lymphoma/leukemia 10
Authors:Zheng, C, Bracken, C, Wu, H.
Deposit date:2013-07-26
Release date:2013-10-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
1R9O
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BU of 1r9o by Molmil
Crystal Structure of P4502C9 with Flurbiprofen bound
Descriptor: Cytochrome P450 2C9, FLURBIPROFEN, GLYCEROL, ...
Authors:Wester, M.R, Yano, J.K, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2003-10-30
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Human Cytochrome P450 2C9 Complexed with Flurbiprofen at 2.0 A Resolution
J.Biol.Chem., 279, 2004
3CER
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BU of 3cer by Molmil
Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13
Descriptor: Possible exopolyphosphatase-like protein, SULFATE ION
Authors:Kuzin, A.P, Su, M, Chen, Y, Neely, H, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-29
Release date:2008-04-01
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13.
To be Published
7L0F
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BU of 7l0f by Molmil
Monobody 12VC3 Bound to HRAS(WT)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021
7L0G
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BU of 7l0g by Molmil
Monobody 12VC1 Bound to HRAS(G12C)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021
3HMC
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BU of 3hmc by Molmil
Endolysin from Bacillus anthracis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative prophage LambdaBa04, glycosyl hydrolase, ...
Authors:Low, L.Y, Liddington, R.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins.
J.Biol.Chem., 286, 2011
3HMB
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BU of 3hmb by Molmil
Mutant endolysin from Bacillus subtilis
Descriptor: N-acetylmuramoyl-L-alanine amidase xlyA, ZINC ION
Authors:Low, L.Y, Liddington, R.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins.
J.Biol.Chem., 286, 2011

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