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4XQ4
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BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
7Q6Z
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BU of 7q6z by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575
Descriptor: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone, CHOLESTEROL, Megabody 177, ...
Authors:Coupland, C, Carrique, L, Siebold, C.
Deposit date:2021-11-09
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
5GOI
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BU of 5goi by Molmil
Lys48-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
Descriptor: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
Authors:Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
Deposit date:2021-11-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
7KNG
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BU of 7kng by Molmil
2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F)
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J.
Deposit date:2020-11-04
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
7KNF
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BU of 7knf by Molmil
1.80A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-1 NHOH)
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, DTY-ASP-TYR-PRO-GLY-ASP-HIS-CYS-TYR-LEU-TYR-GLY-THR, SODIUM ION, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J.
Deposit date:2020-11-04
Release date:2021-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
4IVR
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BU of 4ivr by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10
Descriptor: 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
1FFG
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BU of 1ffg by Molmil
CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY AT 2.1 A RESOLUTION
Descriptor: CHEMOTAXIS PROTEIN CHEA, CHEMOTAXIS PROTEIN CHEY, MANGANESE (II) ION
Authors:Gouet, P, Chinardet, N, Welch, M, Guillet, V, Birck, C, Mourey, L, Samama, J.-P.
Deposit date:2000-07-25
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Further insights into the mechanism of function of the response regulator CheY from crystallographic studies of the CheY--CheA(124--257) complex.
Acta Crystallogr.,Sect.D, 57, 2001
7QFE
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BU of 7qfe by Molmil
Crystal structure of Human Serum albumin in complex with Gemfibrozil
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, MYRISTIC ACID, ...
Authors:Liberi, S, Moro, G, Angelini, A, Cendron, L.
Deposit date:2021-12-05
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil.
Int J Mol Sci, 23, 2022
1PFL
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BU of 1pfl by Molmil
REFINED SOLUTION STRUCTURE OF HUMAN PROFILIN I
Descriptor: PROFILIN I
Authors:Metzler, W.J, Farmer II, B.T, Constantine, K.L, Friedrichs, M.S, Lavoie, T, Mueller, L.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Refined solution structure of human profilin I.
Protein Sci., 4, 1995
5GOK
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BU of 5gok by Molmil
K11/K63-branched tri-Ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
Descriptor: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
Authors:Liu, J, Xu, D, Fu, T, Pan, L.
Deposit date:2016-08-01
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
4IVQ
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BU of 4ivq by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5
Descriptor: 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
1FFW
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BU of 1ffw by Molmil
CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY WITH A BOUND IMIDO DIPHOSPHATE
Descriptor: CHEMOTAXIS PROTEIN CHEA, CHEMOTAXIS PROTEIN CHEY, IMIDO DIPHOSPHATE, ...
Authors:Gouet, P, Chinardet, N, Welch, M, Guillet, V, Birck, C, Mourey, L, Samama, J.-P.
Deposit date:2000-07-26
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Further insights into the mechanism of function of the response regulator CheY from crystallographic studies of the CheY--CheA(124--257) complex.
Acta Crystallogr.,Sect.D, 57, 2001
4IVP
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BU of 4ivp by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20
Descriptor: 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
3OZJ
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BU of 3ozj by Molmil
Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1
Descriptor: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ...
Authors:Zhang, H, Li, L, Chen, L, Hu, L, Shen, X.
Deposit date:2010-09-25
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode
J.Mol.Biol., 407, 2011
6C8U
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BU of 6c8u by Molmil
Solution structure of Musashi2 RRM1
Descriptor: RNA-binding protein Musashi homolog 2
Authors:Xing, M, Lan, L, Douglas, J.T, Gao, P, Hanzlik, R.P, Xu, L.
Deposit date:2018-01-25
Release date:2019-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1.
Proteins, 2019
5YEI
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BU of 5yei by Molmil
Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase
Descriptor: Aspartokinase, GLYCEROL, LYSINE, ...
Authors:Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R.
Deposit date:2017-09-17
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase.
Biochem.J., 475, 2018
1KSH
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BU of 1ksh by Molmil
Complex of Arl2 and PDE delta, Crystal Form 2 (native)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C.
Deposit date:2002-01-13
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The complex of Arl2-GTP and PDE delta: from structure to function.
EMBO J., 21, 2002
6TCD
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BU of 6tcd by Molmil
Crystal structure of Salmo salar RidA-2
Descriptor: ACETATE ION, Ribonuclease UK114, SULFATE ION
Authors:Ricagno, S, Visentin, C, Di Pisa, F, Digiovanni, S, Oberti, L, Degani, G, Popolo, L, Bartorelli, A.
Deposit date:2019-11-05
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage.
Sci Rep, 10, 2020
1FLI
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BU of 1fli by Molmil
DNA-BINDING DOMAIN OF FLI-1
Descriptor: FLI-1
Authors:Liang, H, Mao, X, Olejniczak, E.T, Nettesheim, D.G, Yu, L, Meadows, R.P, Thompson, C.B, Fesik, S.W.
Deposit date:1994-09-15
Release date:1995-09-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the ets domain of Fli-1 when bound to DNA.
Nat.Struct.Biol., 1, 1994
3TGL
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BU of 3tgl by Molmil
STRUCTURE AND MOLECULAR MODEL REFINEMENT OF RHIZOMUCOR MIEHEI TRIACYLGLYCERIDE LIPASE: A CASE STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT
Descriptor: TRIACYL-GLYCEROL ACYLHYDROLASE
Authors:Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L.
Deposit date:1991-07-29
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:STRUCTURE AND MOLECULAR-MODEL REFINEMENT OF RHIZOMUCOR-MIEHEI TRIACYLGLYCERIDE LIPASE - A CASE-STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT.
Acta Crystallogr.,Sect.B, 48, 1992
1FRS
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BU of 1frs by Molmil
CRYSTAL STRUCTURE OF BACTERIOPHAGE FR CAPSIDS AT 3.5 ANGSTROMS RESOLUTION
Descriptor: BACTERIOPHAGE FR CAPSID
Authors:Liljas, L, Valegard, K, Bundule, M.
Deposit date:1994-08-16
Release date:1996-04-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of bacteriophage fr capsids at 3.5 A resolution.
J.Mol.Biol., 244, 1994
5YQZ
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BU of 5yqz by Molmil
Structure of the glucagon receptor in complex with a glucagon analogue
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ...
Authors:Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
7QPD
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BU of 7qpd by Molmil
Structure of the human MHC I peptide-loading complex editing module
Descriptor: Beta-2-microglobulin, Calreticulin, HLA class I histocompatibility antigen, ...
Authors:Domnick, A, Susac, L, Trowitzsch, S, Thomas, C, Tampe, R.
Deposit date:2022-01-03
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Molecular basis of MHC I quality control in the peptide loading complex.
Nat Commun, 13, 2022

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