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5UGB
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BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Descriptor: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5WXN
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BU of 5wxn by Molmil
Structure of the LKB1 and 14-3-3 complex
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11
Authors:Ding, S, Shi, Z.B.
Deposit date:2017-01-08
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta
Acta Crystallogr F Struct Biol Commun, 73, 2017
3KXW
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BU of 3kxw by Molmil
The crystal structure of fatty acid AMP ligase from Legionella pneumophila
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Saframycin Mx1 synthetase B
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-12-04
Release date:2010-03-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
4NL4
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BU of 4nl4 by Molmil
PriA Helicase Bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Primosome assembly protein PriA, ZINC ION
Authors:Bhattacharyya, B, George, N.P, Keck, J.L.
Deposit date:2013-11-13
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural mechanisms of PriA-mediated DNA replication restart.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NL8
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BU of 4nl8 by Molmil
PriA Helicase Bound to SSB C-terminal Tail Peptide
Descriptor: Primosome assembly protein PriA, Single-stranded DNA-binding protein, ZINC ION
Authors:Bhattacharyya, B, George, N.P, Thurmes, T.M, Keck, J.L.
Deposit date:2013-11-13
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.08 Å)
Cite:Structural mechanisms of PriA-mediated DNA replication restart.
Proc.Natl.Acad.Sci.USA, 111, 2014
3LNV
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BU of 3lnv by Molmil
The crystal structure of fatty acyl-adenylate ligase from L. pneumophila in complex with acyl adenylate and pyrophosphate
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, PYROPHOSPHATE 2-, Saframycin Mx1 synthetase B
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-02-03
Release date:2010-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
3PBK
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BU of 3pbk by Molmil
Structural and Functional Studies of Fatty Acyl-Adenylate Ligases from E. coli and L. pneumophila
Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, Fatty Acyl-Adenylate Ligase
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-20
Release date:2010-12-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
Descriptor: SULFATE ION, TNFRSF25 death domain
Authors:Yin, X, Jin, T.
Deposit date:2017-09-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YGS
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BU of 5ygs by Molmil
Human TNFRSF25 death domain
Descriptor: Human TNRSF25 death domain, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.
Deposit date:2017-09-26
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5ZNY
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BU of 5zny by Molmil
Structure of mDR3_DD-C363G with MBP tag
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Yin, X, Jin, T.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5ZNZ
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BU of 5znz by Molmil
Structure of mDR3 DD with MBP tag mutant-I387V
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Jin, T, Yin, X.
Deposit date:2018-04-12
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
7AHV
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BU of 7ahv by Molmil
Anti-FIXa Fab of mim8 in complex with human FIXa
Descriptor: CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
Authors:Johansson, E.
Deposit date:2020-09-25
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7AHU
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BU of 7ahu by Molmil
Anti-FX Fab of mim8 in complex with human FXa
Descriptor: Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ...
Authors:Johansson, E.
Deposit date:2020-09-25
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7D3D
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BU of 7d3d by Molmil
Crystal structure of SPOP bound with a peptide
Descriptor: GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2020-09-18
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
7YE6
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BU of 7ye6 by Molmil
BAM-EspP complex structure with BamA-N427C/EspP-R1297C mutations in nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
Deposit date:2022-07-05
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
7YE4
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BU of 7ye4 by Molmil
BAM-EspP complex structure with BamA-G431C and G781C/EspP-N1293C and A1043C mutations in nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
Deposit date:2022-07-05
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of COVID-19 main protease in complex with GC376
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PDB entries from 2024-04-24

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