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3HXA
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BU of 3hxa by Molmil
Crystal Structure of DCoH1Thr51Ser
Descriptor: GLYCEROL, Pterin-4-alpha-carbinolamine dehydratase, SULFATE ION
Authors:Rho, H.Y, Jones, C.N, Rose, R.B.
Deposit date:2009-06-20
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of DCoH1Thr51Ser
To be Published
6LQK
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BU of 6lqk by Molmil
Crystal structure of honeybee RyR NTD
Descriptor: MAGNESIUM ION, ryanodine receptor
Authors:Zhou, Y, Lin, L, Yuchi, Z.
Deposit date:2020-01-13
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Crystal structure of the N-terminal domain of ryanodine receptor from the honeybee, Apis mellifera.
Insect Biochem.Mol.Biol., 125, 2020
1DCO
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BU of 1dco by Molmil
DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR
Descriptor: DCOH
Authors:Cronk, J.D, Endrizzi, J.A, Alber, T.
Deposit date:1996-05-16
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue.
Protein Sci., 5, 1996
7C4A
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BU of 7c4a by Molmil
nicA2 with cofactor FAD
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
7C49
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BU of 7c49 by Molmil
nicA2 with cofactor FAD and substrate nicotine
Descriptor: 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Xu, P, Zhang, K.
Deposit date:2020-05-15
Release date:2020-06-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
7CZL
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BU of 7czl by Molmil
Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Pi, X, Huang, G, Xiao, Y.
Deposit date:2020-09-09
Release date:2021-01-20
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus .
Proc.Natl.Acad.Sci.USA, 118, 2021
7DNU
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BU of 7dnu by Molmil
mRNA-decapping enzyme g5Rp with inhibitor insp6 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
7DWQ
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BU of 7dwq by Molmil
Photosystem I from a chlorophyll d-containing cyanobacterium Acaryochloris marina
Descriptor: (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Chen, J.H, Zhang, X, Shen, J.R.
Deposit date:2021-01-17
Release date:2021-06-02
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A unique photosystem I reaction center from a chlorophyll d-containing cyanobacterium Acaryochloris marina.
J Integr Plant Biol, 63, 2021
5DEW
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BU of 5dew by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound 5
Descriptor: 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2015-08-26
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety
To Be Published
7DXH
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BU of 7dxh by Molmil
Cryo-EM structure of PSII intermediate Psb28-PSII complex
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q.
Deposit date:2021-01-18
Release date:2021-06-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063.
Nat.Plants, 7, 2021
7DXA
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BU of 7dxa by Molmil
PSII intermediate Psb28-RC47
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q.
Deposit date:2021-01-18
Release date:2021-06-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063.
Nat.Plants, 7, 2021
7DNT
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BU of 7dnt by Molmil
mRNA-decapping enzyme g5Rp
Descriptor: mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2022-03-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
7DTC
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BU of 7dtc by Molmil
voltage-gated sodium channel Nav1.5-E1784K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 5 subunit alpha
Authors:Yan, N, Pan, X, Li, Z.
Deposit date:2021-01-04
Release date:2021-03-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human Na v 1.5 reveals the fast inactivation-related segments as a mutational hotspot for the long QT syndrome.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ATV
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BU of 6atv by Molmil
The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions
Descriptor: Adapter molecule crk, proline-rich motif in IAV-NS1
Authors:Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H.
Deposit date:2017-08-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Molecular Mechanisms of Tight Binding through Fuzzy Interactions.
Biophys. J., 114, 2018
7WKX
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BU of 7wkx by Molmil
IL-17A in complex with the humanized antibody HB0017
Descriptor: ACETIC ACID, Heavy chain of HB0017 Fab, Interleukin-17A, ...
Authors:Xu, J, Zhu, X, He, Y.
Deposit date:2022-01-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural and functional insights into a novel pre-clinical-stage antibody targeting IL-17A for treatment of autoimmune diseases.
Int.J.Biol.Macromol., 202, 2022
7WBI
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BU of 7wbi by Molmil
BF2*1901-FLU
Descriptor: Beta-2-microglobulin, ILE-ARG-HIS-GLU-ASN-ARG-MET-VAL-LEU, MHC class I alpha chain 2
Authors:Liu, W.J.
Deposit date:2021-12-16
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease.
J Immunol., 210, 2023
7WBG
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BU of 7wbg by Molmil
BF2*1901/RY8
Descriptor: ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I alpha chain 2
Authors:Liu, W.J.
Deposit date:2021-12-16
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Wider and Deeper Peptide-Binding Groove for the Class I Molecules from B15 Compared with B19 Chickens Correlates with Relative Resistance to Marek's Disease.
J Immunol., 210, 2023
8IKJ
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BU of 8ikj by Molmil
Cryo-EM structure of the inactive CD97
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor E5,Soluble cytochrome b562,Adhesion G protein-coupled receptor E5 subunit beta
Authors:Mao, C, Zhao, R, Dong, Y, Gao, M, Chen, L, Zhang, C, Xiao, P, Guo, J, Qin, J, Shen, D, Ji, S, Zang, S, Zhang, H, Wang, W, Shen, Q, Sun, P, Zhang, Y.
Deposit date:2023-02-28
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational transitions and activation of the adhesion receptor CD97.
Mol.Cell, 84, 2024
7K7L
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BU of 7k7l by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Spurlino, J.C, Milligan, C.
Deposit date:2020-09-23
Release date:2020-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.539 Å)
Cite:Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
6MC4
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BU of 6mc4 by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*TP*CP*AP*GP*GP*CP*G)-3'), POTASSIUM ION
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2018-08-30
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
7K7Z
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BU of 7k7z by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Spurlino, J.C, Milligan, C.
Deposit date:2020-09-24
Release date:2020-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.606087 Å)
Cite:Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
7K2U
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BU of 7k2u by Molmil
DHODH IN COMPLEX WITH LIGAND 13
Descriptor: 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2020-09-09
Release date:2020-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
6MC3
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BU of 6mc3 by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
Descriptor: DNA (5'-D(*CP*GP*TP*GP*AP*GP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2018-08-30
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
6MC2
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BU of 6mc2 by Molmil
Crystal structure of a tetrameric DNA fold-back quadruplex
Descriptor: DNA (5'-D(*CP*GP*TP*AP*AP*GP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2018-08-30
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal Structure of a Tetrameric DNA Fold-Back Quadruplex.
J. Am. Chem. Soc., 140, 2018
2LW3
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BU of 2lw3 by Molmil
Solution structure of the soluble domain of MmpS4 from Mycobacterium tuberculosis
Descriptor: Putative membrane protein mmpS4
Authors:Xi, Z, Sun, P, Wang, W, Lai, C, Wu, F, Tian, C.
Deposit date:2012-07-19
Release date:2013-03-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Discovery of a Siderophore Export System Essential for Virulence of Mycobacterium tuberculosis
Plos Pathog., 9, 2013

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