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PDB: 89111 results

7UF7
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BU of 7uf7 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA503
Descriptor: (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7KQR
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A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ...
Authors:Wang, Y, Shin, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
8RPB
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BU of 8rpb by Molmil
Structure of S79 Fab in complex with IgV domain of human PD-L1
Descriptor: CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ...
Authors:Svensson, A, Kelpsas, V, Laursen, M, Rose, N.
Deposit date:2024-01-15
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
6C4U
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BU of 6c4u by Molmil
Engineered FHA with Myc-pTBD peptide
Descriptor: Forkhead-associated 1, GLYCEROL, Myc-pTBD peptide
Authors:Kall, S.L, Lavie, A.
Deposit date:2018-01-12
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Generating a recombinant phosphothreonine-binding domain for a phosphopeptide of the human transcription factor, c-Myc.
N Biotechnol, 45, 2018
5FOE
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BU of 5foe by Molmil
Crystal structure of the C. elegans Protein O-fucosyltransferase 2 (CePOFUT2) double mutant (R298K-R299K) in complex with GDP and the human TSR1 from thrombospondin 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Thrombospondin-1, ...
Authors:Valero-Gonzalez, J, Leonhard-Melief, C, Lira-Navarrete, E, Jimenez-Oses, G, Hernandez-Ruiz, C, Pallares, M.C, Yruela, I, Vasudevan, D, Lostao, A, Corzana, F, Takeuchi, H, Haltiwanger, R.S, Hurtado-Guerrero, R.
Deposit date:2015-11-19
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Proactive Role of Water Molecules in Acceptor Recognition of Thrombospondin Type 1 Repeats by Protein-O-Fucosyltransferase 2
Nat.Chem.Biol., 12, 2016
1A0R
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BU of 1a0r by Molmil
HETEROTRIMERIC COMPLEX OF PHOSDUCIN/TRANSDUCIN BETA-GAMMA
Descriptor: FARNESYL, PHOSDUCIN, TRANSDUCIN (BETA SUBUNIT), ...
Authors:Loew, A, Ho, Y.-K, Blundell, T.L, Bax, B.
Deposit date:1997-12-05
Release date:1998-12-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phosducin induces a structural change in transducin beta gamma.
Structure, 6, 1998
5FSB
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BU of 5fsb by Molmil
Structure of tectonin 2 from laccaria bicolor in complex with 2-o-methyl-methyl-seleno-beta-l-fucopyranoside
Descriptor: BORIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A.
Deposit date:2016-01-04
Release date:2017-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Structure, 26, 2018
4ZC4
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BU of 4zc4 by Molmil
Crystal structure of LARP1-unique domain DM15
Descriptor: La-related protein 1, SULFATE ION
Authors:Lahr, R.M, Berman, A.J.
Deposit date:2015-04-15
Release date:2015-08-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The La-related protein 1-specific domain repurposes HEAT-like repeats to directly bind a 5'TOP sequence.
Nucleic Acids Res., 43, 2015
6FNF
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BU of 6fnf by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712
Descriptor: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
5FTK
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BU of 5ftk by Molmil
Cryo-EM structure of human p97 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
7S50
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BU of 7s50 by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ...
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
6FNK
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BU of 6fnk by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
Descriptor: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6C67
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BU of 6c67 by Molmil
Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-17
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
7S4W
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BU of 7s4w by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
6W4V
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BU of 6w4v by Molmil
Structure of anti-ferroportin Fab45D8
Descriptor: 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain
Authors:Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A.
Deposit date:2020-03-11
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
7KQS
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BU of 7kqs by Molmil
A 1.68-A resolution 3-fluoro-L-tyrosine bound crystal structure of heme-dependent tyrosine hydroxylase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.677 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
5H7X
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BU of 5h7x by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with 2-hydroxy-1,2,3-propane tricarboxylate at 1.76 A resolution
Descriptor: CITRIC ACID, Phosphopantetheine adenylyltransferase
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2016-11-21
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and binding studies of phosphopantetheine adenylyl transferase from Acinetobacter baumannii.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
6FNS
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BU of 6fns by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
Descriptor: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
5H5L
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BU of 5h5l by Molmil
Structure of prostaglandin synthase D of Nilaparvata lugens
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Yamamoto, K, Higashiura, A, Suzuki, S, Nakagawa, A.
Deposit date:2016-11-07
Release date:2017-09-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Molecular structure of a prostaglandin D synthase requiring glutathione from the brown planthopper, Nilaparvata lugens
Biochem. Biophys. Res. Commun., 492, 2017
6MQ4
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BU of 6mq4 by Molmil
GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2018-10-09
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
7KQU
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BU of 7kqu by Molmil
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Davis, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
6MN1
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BU of 6mn1 by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Aminoglycoside N(3)-acetyltransferase, ...
Authors:Stogios, P.J, Skarina, T, Michalska, K, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
To Be Published
7KQT
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BU of 7kqt by Molmil
A 1.84-A resolution crystal structure of heme-dependent L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine and cyanide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, CYANIDE ION, ...
Authors:Wang, Y, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.835 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
6MW2
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BU of 6mw2 by Molmil
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.
Descriptor: pseudoxylallemycin A
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
5JJP
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BU of 5jjp by Molmil
Crystal structure of CmiS6
Descriptor: Nonribosomal peptide synthase
Authors:Cieslak, J, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2016-04-25
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical characterization and structural insight into aliphatic beta-amino acid adenylation enzymes IdnL1 and CmiS6
Proteins, 85, 2017

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