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7MC4
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BU of 7mc4 by Molmil
Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ
Descriptor: Bilin Lyase-Isomerase
Authors:Yang, X, Kumarapperuma, I.
Deposit date:2021-04-01
Release date:2022-02-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and molecular mechanism of an E/F type bilin lyase-isomerase.
Structure, 30, 2022
2C74
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BU of 2c74 by Molmil
14-3-3 Protein Eta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-11-17
Release date:2005-12-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for protein-protein interactions in the 14-3-3 protein family.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
2C23
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BU of 2c23 by Molmil
14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide
Descriptor: 14-3-3 BETA/ALPHA, EXOENZYME S PEPTIDE
Authors:Elkins, J.M, Schoch, G.A, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A.
Deposit date:2005-09-26
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
1VR4
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BU of 1vr4 by Molmil
Crystal Structure of MCSG TArget APC22750 from Bacillus cereus
Descriptor: hypothetical protein APC22750
Authors:Yang, X, Brunzelle, J.S, McNamara, L.K, Minasov, G, Shuvalova, L, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-01-31
Release date:2005-02-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of MCSG TArget APC22750 from Bacillus cereus
To be Published
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
Deposit date:2013-10-22
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NC4
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BU of 4nc4 by Molmil
Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
2BTP
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BU of 2btp by Molmil
14-3-3 Protein Theta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-06-05
Release date:2005-06-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
5XGH
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BU of 5xgh by Molmil
Crystal structure of PI3K complex with an inhibitor
Descriptor: 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Song, K, Yang, X, Zhao, Y, Jian, Z.
Deposit date:2017-04-13
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
2ODB
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BU of 2odb by Molmil
The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6)
Descriptor: CHLORIDE ION, Human Cell Division Cycle 42 (CDC42), MAGNESIUM ION, ...
Authors:Ugochukwu, E, Yang, X, Elkins, J, Soundararajan, M, Pike, A.C.W, Eswaran, J, Burgess, N, Debreczeni, J.E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Gileadi, O, von Delft, F, Knapp, S, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-12-22
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of human cdc42 in complex with the CRIB domain of human p21-activated kinase 6 (PAK6)
To be Published
2IC5
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BU of 2ic5 by Molmil
Crystal structure of human RAC3 grown in the presence of Gpp(NH)p.
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ugochukwu, E, Yang, X, Zao, Y, Elkins, J, Gileadi, C, Burgess, N, Colebrook, S, Gileadi, O, Fedorov, O, Bunkoczi, G, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-09-12
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human RAC3 grown in the presence of Gpp(NH)p.
To be Published
8F71
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BU of 8f71 by Molmil
Crystal structure of the histidine kinase domain of bacteriophytochrome RpBphP2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Histidine kinase, MAGNESIUM ION
Authors:Yang, X, Kumarapperuma, I, Tom, I.
Deposit date:2022-11-17
Release date:2023-11-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Mode of autophosphorylation in bacteriophytochromes RpBphP2 and RpBphP3.
Photochem Photobiol Sci, 22, 2023
7C2M
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BU of 7c2m by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ...
Authors:Zhang, B, Yang, X, Hu, T, Rao, Z.
Deposit date:2020-05-08
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
7C2N
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BU of 7c2n by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Yang, X, Hu, T, Rao, Z.
Deposit date:2020-05-08
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
7XRW
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BU of 7xrw by Molmil
Solution structure of T. brucei RAP1
Descriptor: Repressor activator protein 1
Authors:Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X.
Deposit date:2022-05-12
Release date:2023-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
Nat Commun, 14, 2023
8YLN
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BU of 8yln by Molmil
The structure of DSR2-Tail tube complex
Descriptor: Bacillus phage SPR Tube protein, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-03-06
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8Z18
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BU of 8z18 by Molmil
The tetramer complex of DSR2 and tube-forming domain of phage tail tube protein
Descriptor: Bacillus phage SPR Tube protein, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-04-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8YLT
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BU of 8ylt by Molmil
The structure of DSR2 and NAD+ complex
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-03-06
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8YKF
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BU of 8ykf by Molmil
The DSR2-DSAD1 complex with DSAD1 on the opposite sides
Descriptor: DSAD1, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-03-05
Release date:2024-08-14
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8ZTR
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BU of 8ztr by Molmil
The dimer complex of DSR2 and tube-forming domain of phage tail tube protein
Descriptor: Bacillus phage SPR Tube protein, SIR2-like domain-containing protein
Authors:Zheng, J, Yang, X.
Deposit date:2024-06-07
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8STB
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BU of 8stb by Molmil
The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
Descriptor: CHLORIDE ION, GLYCEROL, Glyoxalase, ...
Authors:Luo, Z, Jia, X, Yan, X, Qu, X, Kobe, B.
Deposit date:2023-05-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The crystal structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX.
To Be Published
2X7I
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BU of 2x7i by Molmil
Crystal structure of mevalonate kinase from methicillin-resistant Staphylococcus aureus MRSA252
Descriptor: CHLORIDE ION, CITRIC ACID, MEVALONATE KINASE
Authors:Oke, M, Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
Deposit date:2010-02-27
Release date:2010-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
6DXK
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BU of 6dxk by Molmil
Glucocorticoid Receptor in complex with Compound 11
Descriptor: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor
Authors:Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S.
Deposit date:2018-06-29
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
8EPY
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BU of 8epy by Molmil
The solution structure of abxF in complex with its product (-)-ABX, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
Descriptor: (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one, Glyoxalase
Authors:Jia, X, Yan, X, Qu, X, Mobli, M.
Deposit date:2022-10-06
Release date:2024-04-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX.
To Be Published
6CLW
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BU of 6clw by Molmil
Crystal structure of TnmH
Descriptor: O-methyltransferase
Authors:Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020

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