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6XN1
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BU of 6xn1 by Molmil
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:2020-07-02
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
5Y0P
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BU of 5y0p by Molmil
Crystal structure of Bacillus subtilis TmcAL bound with alpha-thio ATP
Descriptor: ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, UPF0348 protein B4417_3650
Authors:Yamashita, S, Tomita, K.
Deposit date:2017-07-18
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Acetate-dependent tRNA acetylation required for decoding fidelity in protein synthesis.
Nat. Chem. Biol., 14, 2018
5Y09
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BU of 5y09 by Molmil
Crystal structure of Deg9 at 295 K
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Li, X.Y, Liu, L, Zhang, L.X.
Deposit date:2017-07-15
Release date:2017-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Crystal structure of Deg9 at 295 K
To Be Published
8B6E
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BU of 8b6e by Molmil
crystal structure of the DNA-binding short chromatophore-targeted protein sCTP-23166 from Paulinella chromatophora
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, sCTP-23166
Authors:Macorano, L, Applegate, V, Hoeppner, A, Smits, S.H.J, Nowack, E.C.M.
Deposit date:2022-09-27
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:DNA-binding and protein structure of nuclear factors likely acting in genetic information processing in the Paulinella chromatophore.
Proc.Natl.Acad.Sci.USA, 120, 2023
6XPB
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BU of 6xpb by Molmil
Structure of human GGT1 in complex with 2-amino-4-(((1-((carboxymethyl)amino)-1-oxobutan-2-yl)oxy)(phenoxy)phosphoryl)butanoic acid (ACPB) molecule
Descriptor: 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Terzyan, S.S, Hanigan, M.H.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
5Y1U
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BU of 5y1u by Molmil
Crystal structure of RBBP4 bound to AEBP2 RRK motif
Descriptor: Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2
Authors:Sun, A, Li, F, Wu, J, Shi, Y.
Deposit date:2017-07-21
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4
Protein Cell, 2017
5Y2I
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BU of 5y2i by Molmil
Phosphoglycerate mutase 1 (PGAM1) complexed with its inhibitor PGMI-004A
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide, CHLORIDE ION, ...
Authors:Jiang, L, Zhou, L.
Deposit date:2017-07-26
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Phosphoglycerate mutase 1 (PGAM1) complexed with its inhibitor PGMI-004A
To Be Published
5Y2U
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BU of 5y2u by Molmil
X-ray structure of Phosphoglycerate Mutase 1(PGAM1) complexed with a small molecule
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALIZARIN RED, CHLORIDE ION, ...
Authors:Jiang, L.L, Zhou, L.
Deposit date:2017-07-27
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray structure of Phosphoglycerate Mutase 1(PGAM1) complexed with a small molecule
To Be Published
5Y4E
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BU of 5y4e by Molmil
Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b
Descriptor: Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION
Authors:Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
5Y38
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BU of 5y38 by Molmil
Crystal structure of C7orf59-HBXIP complex
Descriptor: Ragulator complex protein LAMTOR4, Ragulator complex protein LAMTOR5, SULFATE ION
Authors:Zhang, T, Ding, J.
Deposit date:2017-07-28
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1
Nat Commun, 8, 2017
5Y50
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BU of 5y50 by Molmil
Crystal structure of eukaryotic MATE transporter AtDTX14
Descriptor: Protein DETOXIFICATION 14
Authors:Miyauchi, H, Kusakizako, T, Nishizawa, T, Ishitani, R, Nureki, O.
Deposit date:2017-08-06
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for xenobiotic extrusion by eukaryotic MATE transporter
Nat Commun, 8, 2017
6O4Z
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BU of 6o4z by Molmil
Structure of HLA-A2:01 with peptide MM92
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Ying, G, Bitra, A, Zajonc, D.M.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients.
Front Immunol, 10, 2019
6O51
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BU of 6o51 by Molmil
Structure of HLA-A2:01 with peptide MM90
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Ying, G, Bitra, A, Zajonc, D.M.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients.
Front Immunol, 10, 2019
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y83
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BU of 5y83 by Molmil
Crystal structure of YidC from Thermotoga maritima
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.842 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
6O6O
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BU of 6o6o by Molmil
Structure of the regulator FasR from Mycobacterium tuberculosis
Descriptor: MYRISTIC ACID, TetR family transcriptional regulator
Authors:Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A.
Deposit date:2019-03-07
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
5Y8R
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BU of 5y8r by Molmil
ZsYellow at pH 3.5
Descriptor: GFP-like fluorescent chromoprotein FP538
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-21
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
6O69
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BU of 6o69 by Molmil
Crystal Structure of Double Mutant L380R/F535K of Human Acetylcholinesterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Bester, S.M, Height, J.J, Pegan, S.D.
Deposit date:2019-03-05
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:The structural and biochemical impacts of monomerizing human acetylcholinesterase.
Protein Sci., 28, 2019
5YFB
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BU of 5yfb by Molmil
Crystal structure of a new DPP III family member
Descriptor: 1,2-ETHANEDIOL, Dipeptidyl peptidase 3, GLYCEROL, ...
Authors:Xu, T, Sun, Z, Liu, J.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme.
Biochem. Biophys. Res. Commun., 494, 2017
5Y32
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BU of 5y32 by Molmil
Crystal structure of PTP delta Ig1-Ig2 in complex with IL1RAPL1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yamagata, A, Fukai, S.
Deposit date:2017-07-27
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
5YG0
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BU of 5yg0 by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS657
Descriptor: 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:to be published
to be published
5Y59
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BU of 5y59 by Molmil
Crystal structure of Ku80 and Sir4
Descriptor: ATP-dependent DNA helicase II subunit 2, SULFATE ION, Sir4p
Authors:Chen, H, Xue, J, Wu, J, Lei, M.
Deposit date:2017-08-08
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural Insights into Yeast Telomerase Recruitment to Telomeres
Cell, 172, 2018
5Y5F
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BU of 5y5f by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
5Y17
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BU of 5y17 by Molmil
CATPO mutant - E316F
Descriptor: CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase
Authors:Karakus Yuzugullu, Y, Goc, G, Balci, S, Pearson, A.R, Yorke, B.
Deposit date:2017-07-19
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
5Y39
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BU of 5y39 by Molmil
Crystal structure of Ragulator complex (p18 76-145)
Descriptor: Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ...
Authors:Zhang, T, Ding, J.
Deposit date:2017-07-28
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1
Nat Commun, 8, 2017

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