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5XG0
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BU of 5xg0 by Molmil
Crystal structure of a novel PET hydrolase from Ideonella sakaiensis 201-F6
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2017-04-11
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5XFZ
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BU of 5xfz by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant from Ideonella sakaiensis 201-F6
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2017-04-11
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5XH2
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BU of 5xh2 by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with pNP from Ideonella sakaiensis 201-F6
Descriptor: P-NITROPHENOL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5XH3
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BU of 5xh3 by Molmil
Crystal structure of a novel PET hydrolase R103G/S131A mutant in complex with HEMT from Ideonella sakaiensis 201-F6
Descriptor: GLYCEROL, O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate, Poly(ethylene terephthalate) hydrolase, ...
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2017-04-19
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insight into catalytic mechanism of PET hydrolase
Nat Commun, 8, 2017
5O2E
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BU of 5o2e by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement
Descriptor: (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2017-05-20
Release date:2018-12-26
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5O2F
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BU of 5o2f by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2017-05-20
Release date:2018-12-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
3L0F
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BU of 3l0f by Molmil
High resolution structure of C-Phycocyanin from Thermosynechococcus elongatus
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Fromme, R, Brune, D, Fromme, P.
Deposit date:2009-12-09
Release date:2010-12-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.
Iucrj, 2, 2015
6XLO
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BU of 6xlo by Molmil
Crystal structure of bRaf in complex with inhibitor
Descriptor: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf
Authors:Yin, J, Eigenbrot, C, Wang, W.
Deposit date:2020-06-28
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
5XKN
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BU of 5xkn by Molmil
Crystal structure of plant receptor ERL2 in complexe with EPFL4
Descriptor: EPIDERMAL PATTERNING FACTOR-like protein 4, LRR receptor-like serine/threonine-protein kinase ERL2
Authors:Chai, J, Lin, G.
Deposit date:2017-05-08
Release date:2019-01-23
Method:X-RAY DIFFRACTION (3.651 Å)
Cite:A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
5XJO
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BU of 5xjo by Molmil
Plant receptor ERL1-TMM in complex with peptide EPF1
Descriptor: LRR receptor-like serine/threonine-protein kinase ERL1, Protein EPIDERMAL PATTERNING FACTOR 1, Protein TOO MANY MOUTHS
Authors:Chai, J, Lin, G, Zhang, L, Han, Z, Shpak, E.D, Yang, X.
Deposit date:2017-05-03
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.626 Å)
Cite:A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
6E0U
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BU of 6e0u by Molmil
Staphylococcus pseudintermedius exfoliative toxin EXI
Descriptor: Serine protease
Authors:Boone, C.D, Laganowsky, A.
Deposit date:2018-07-06
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the Exfoliative toxin Exi from Staphylococcus pseudintermedius
To be Published
8IJC
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BU of 8ijc by Molmil
NMR solution structure of the 1:1 complex of a platinum(II) ligand L1-transpt covalently bound to a G-quadruplex MYT1L
Descriptor: G-quadruplex DNA MYT1L, Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
Authors:Liu, L.-Y, Mao, Z.-W.
Deposit date:2023-02-27
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Organic-Platinum Hybrids for Covalent Binding of G-Quadruplexes: Structural Basis and Application to Cancer Immunotherapy.
Angew.Chem.Int.Ed.Engl., 62, 2023
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8A
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BU of 8w8a by Molmil
Cryo-EM structure of the RO5256390-TAAR1 complex
Descriptor: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W88
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BU of 8w88 by Molmil
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
4Y0K
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BU of 4y0k by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE in complex with NADP
Descriptor: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Abe, I, Zhang, L, Mori, T.
Deposit date:2015-02-06
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y1B
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BU of 4y1b by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
Descriptor: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Abe, I, Zhang, L, Mori, T.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
6NHY
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BU of 6nhy by Molmil
Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6NHW
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BU of 6nhw by Molmil
Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
6M63
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BU of 6m63 by Molmil
Crystal structure of a cAMP sensor G-Flamp1.
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Chimera of Cyclic nucleotide-gated potassium channel mll3241 and Yellow fluorescent protein
Authors:Zhou, Z, Chen, S, Wang, L, Chu, J.
Deposit date:2020-03-12
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A high-performance genetically encoded fluorescent indicator for in vivo cAMP imaging.
Nat Commun, 13, 2022
6OIS
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BU of 6ois by Molmil
CryoEM structure of Arabidopsis DR complex (DMS3-RDM1)
Descriptor: Protein DEFECTIVE IN MERISTEM SILENCING 3, Protein RDM1
Authors:Wongpalee, S.P, Liu, S, Zhou, Z.H, Jacobsen, S.E.
Deposit date:2019-04-09
Release date:2019-07-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:CryoEM structures of Arabidopsis DDR complexes involved in RNA-directed DNA methylation.
Nat Commun, 10, 2019
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
Descriptor: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023

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