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5IT6
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BU of 5it6 by Molmil
Galectin-related protein: an integral member of the network of chicken galectins
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galectin-related protein, ...
Authors:Flores-Ibarra, A, Garcia-Caballero, G, Michalak, M, Bovin, N.V, Andre, S, Manning, J.C, Vertesy, S, Ruiz, F.M, Kaltner, H, Kopitz, J, Romero, A, Gabius, H.-J.
Deposit date:2016-03-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Galectin-related protein: An integral member of the network of chicken galectins 1. From strong sequence conservation of the gene confined to vertebrates to biochemical characteristics of the chicken protein and its crystal structure.
Biochim.Biophys.Acta, 1860, 2016
6WP5
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BU of 6wp5 by Molmil
Pyruvate Kinase M2 mutant-S37D
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Nandi, S, Razzaghi, M, Srivastava, D, Dey, M.
Deposit date:2020-04-26
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
9CMQ
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BU of 9cmq by Molmil
Horse liver alcohol dehydrogenase V203A in complex with NADH and N-cylcohexyl formamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Mukherjee, S, Boxer, S.G.
Deposit date:2024-07-15
Release date:2025-07-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Role of Electrostatics in Hydride Transfer by Horse liver alcohol dehydrogenase
To Be Published
8IO2
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BU of 8io2 by Molmil
The Rubisco assembly intermidate of Arabidopsis thaliana Rubisco accumulation factor 1 (AtRaf1) and Rubisco large subunit (RbcL)
Descriptor: Ribulose bisphosphate carboxylase large chain, Rubisco accumulation factor 1.2, chloroplastic
Authors:Wang, R, Song, H, Zhang, W, Wang, N, Zhang, S, Shao, R.
Deposit date:2023-03-10
Release date:2023-11-01
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the functions of Raf1 and Bsd2 in hexadecameric Rubisco assembly.
Mol Plant, 16, 2023
4XBN
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BU of 4xbn by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
8RNT
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BU of 8rnt by Molmil
STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ZINC(II) AT 1.8 ANGSTROMS RESOLUTION: A ZN2+.6H2O.CARBOXYLATE CLATHRATE
Descriptor: RIBONUCLEASE T1, ZINC ION
Authors:Ding, J, Choe, H.-W, Granzin, J, Saenger, W.
Deposit date:1991-09-23
Release date:1993-01-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ribonuclease T1 complexed with zinc(II) at 1.8 A resolution: a Zn2+.6H2O.carboxylate clathrate.
Acta Crystallogr.,Sect.B, 48, 1992
6HTU
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BU of 6htu by Molmil
Structure of hStau1 dsRBD3-4 in complex with ARF1 RNA
Descriptor: Double-stranded RNA-binding protein Staufen homolog 1, RNA (19-MER)
Authors:Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.888 Å)
Cite:The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity.
Life Sci Alliance, 1, 2018
7BMP
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BU of 7bmp by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant).
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Koelmel, W, Kuper, J, Kisker, C.
Deposit date:2021-01-20
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
9CQK
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BU of 9cqk by Molmil
Horse liver alcohol dehydrogenase F93W in complex with NADH and N-cylcohexyl formamide
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
Authors:Mukherjee, S, Boxer, S.G.
Deposit date:2024-07-19
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Role of Electrostatics in Hydride Transfer by Horse liver alcohol dehydrogenase
To Be Published
8TUK
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BU of 8tuk by Molmil
Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain
Descriptor: 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE
Authors:Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B.
Deposit date:2023-08-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
4XST
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BU of 4xst by Molmil
Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ...
Authors:Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C.
Deposit date:2015-01-22
Release date:2015-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
9EIH
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BU of 9eih by Molmil
Import stalled PINK1 TOM complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM20 homolog, Mitochondrial import receptor subunit TOM22 homolog, ...
Authors:Kirk, N.S, Glukhova, A, Callegari, S, Komander, D.
Deposit date:2024-11-26
Release date:2025-03-12
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of human PINK1 at a mitochondrial TOM-VDAC array.
Science, 388, 2025
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
6ZDJ
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BU of 6zdj by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,10)
Descriptor: Gag protein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-06-14
Release date:2020-08-19
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6FMU
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BU of 6fmu by Molmil
Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol
Descriptor: 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
Authors:Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F.
Deposit date:2018-02-02
Release date:2018-06-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Descriptor: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
Authors:Boettcher, J.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
8R10
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BU of 8r10 by Molmil
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (Z)-4-(4-hydroxystyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8EO1
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BU of 8eo1 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (reverse strand)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-01
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
7BMT
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BU of 7bmt by Molmil
HEWL in sodium chloride
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Koelmel, W, Kuper, J, Kisker, C.
Deposit date:2021-01-20
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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
8TVT
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BU of 8tvt by Molmil
Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
Authors:Cygler, M, Boniecki, M.T.
Deposit date:2023-08-18
Release date:2024-09-11
Last modified:2025-08-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:D-cysteine impairs tumour growth by inhibiting cysteine desulfurase NFS1.
Nat Metab, 2025
6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF0
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BU of 6zf0 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF1
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BU of 6zf1 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021

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