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6GV1
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BU of 6gv1 by Molmil
Crystal structure of E.coli Multidrug/H+ antiporter MdfA in outward open conformation with bound Fab fragment
Descriptor: Fab fragment YN1074 heavy chain, Fab fragment YN1074 light chain, Major Facilitator Superfamily multidrug/H+ antiporter MdfA from E.coli, ...
Authors:Nagarathinam, K, Parthier, C, Stubbs, M.T, Tanabe, M.
Deposit date:2018-06-20
Release date:2018-10-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Outward open conformation of a Major Facilitator Superfamily multidrug/H+antiporter provides insights into switching mechanism.
Nat Commun, 9, 2018
4CN6
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BU of 4cn6 by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant with maltose bound
Descriptor: ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
Deposit date:2014-01-21
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
3ZCS
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BU of 3zcs by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ...
Authors:Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
Deposit date:2012-11-21
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
3ZCV
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BU of 3zcv by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ...
Authors:Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
Deposit date:2012-11-21
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
3ZCT
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BU of 3zct by Molmil
Rabbit muscle glycogen phosphorylase b in complex with N-(2-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.0 A resolution
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ...
Authors:Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L.
Deposit date:2012-11-21
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
2EB1
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BU of 2eb1 by Molmil
Crystal Structure of the C-Terminal RNase III Domain of Human Dicer
Descriptor: Endoribonuclease Dicer, MAGNESIUM ION
Authors:Takeshita, D, Zenno, S, Lee, W.C, Nagata, K, Saigo, K, Tanokura, M.
Deposit date:2007-02-05
Release date:2007-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homodimeric Structure and Double-stranded RNA Cleavage Activity of the C-terminal RNase III Domain of Human Dicer
J.Mol.Biol., 374, 2007
2DYF
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BU of 2dyf by Molmil
Solution structure of the first WW domain of FBP11 / HYPA (FBP11 WW1) complexed with a PL (PPLP) motif peptide ligand
Descriptor: Huntingtin-interacting protein HYPA/FBP11, PL (PPLP) motif peptide from Myosin tail region-interacting protein MTI1
Authors:Kato, Y, Miyakawa, T, Kurita, J, Tanokura, M.
Deposit date:2006-09-11
Release date:2006-10-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Complex structure of fbp11 ww1 and a pl ligand reveals the mechanism of proline-rich ligand recognition by group-II/III ww domains
To be Published
4CTN
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BU of 4ctn by Molmil
Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DIMETHYL SULFOXIDE, GLYCOGEN PHOSPHORYLASE, ...
Authors:Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D.
Deposit date:2014-03-15
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
4CTO
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BU of 4cto by Molmil
Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ...
Authors:Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D.
Deposit date:2014-03-15
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
4CTM
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BU of 4ctm by Molmil
Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods
Descriptor: (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ...
Authors:Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D.
Deposit date:2014-03-15
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
6KFQ
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BU of 6kfq by Molmil
Crystal structure of thermophilic rhodopsin from Rubrobacter xylanophilus
Descriptor: RETINAL, Rhodopsin, SULFATE ION, ...
Authors:Suzuki, K, Akiyama, T, Hayashi, T, Yasuda, S, Kanehara, K, Kojima, K, Tanabe, M, Kato, R, Senda, T, Sudo, Y, Kinoshita, M, Murata, T.
Deposit date:2019-07-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How Does a Microbial Rhodopsin RxR Realize Its Exceptionally High Thermostability with the Proton-Pumping Function Being Retained?
J.Phys.Chem.B, 124, 2020
2DE3
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BU of 2de3 by Molmil
Crystal structure of DSZB C27S mutant in complex with 2'-hydroxybiphenyl-2-sulfinic acid
Descriptor: 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID, ACETATE ION, DIBENZOTHIOPHENE DESULFURIZATION ENZYME B, ...
Authors:Lee, W.C, Ohshiro, T, Matsubara, T, Izumi, Y, Tanokura, M.
Deposit date:2006-02-08
Release date:2006-08-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and desulfurization mechanism of 2'-hydroxybiphenyl-2-sulfinic acid desulfinase.
J.Biol.Chem., 281, 2006
4CN1
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BU of 4cn1 by Molmil
GlgE isoform 1 from Streptomyces coelicolor D394A mutant with maltose- 1-phosphate bound
Descriptor: ALPHA-1,4-GLUCAN: MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-1-O-phosphono-alpha-D-glucopyranose
Authors:Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
Deposit date:2014-01-21
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
4CN4
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BU of 4cn4 by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant with 2-deoxy- 2-fluoro-beta-maltosyl modification
Descriptor: ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-beta-D-glucopyranose
Authors:Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S.
Deposit date:2014-01-21
Release date:2014-05-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate.
Biochemistry, 53, 2014
5AM7
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BU of 5am7 by Molmil
FGFR1 mutant with an inhibitor
Descriptor: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1
Authors:Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
5B0H
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BU of 5b0h by Molmil
CRYSTAL STRUCTURE OF HUMAN LEUKOCYTE CELL-DERIVED CHEMOTAXIN 2
Descriptor: Leukocyte cell-derived chemotaxin-2, SULFATE ION, ZINC ION
Authors:Zheng, H, Miyakawa, T, Sawano, Y, Tanokura, M.
Deposit date:2015-10-29
Release date:2016-07-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Human Leukocyte Cell-derived Chemotaxin 2 (LECT2) Reveals a Mechanistic Basis of Functional Evolution in a Mammalian Protein with an M23 Metalloendopeptidase Fold
J.Biol.Chem., 291, 2016
5B5L
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BU of 5b5l by Molmil
Crystal structure of acetyl esterase mutant S10A with acetate ion
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Uechi, K, Kamachi, S, Akita, H, Mine, S, Watanabe, M.
Deposit date:2016-05-12
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:crystal structure of acetyl esterase mutant S10A with acetate ion
To Be Published
2RR7
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BU of 2rr7 by Molmil
Microtubule Binding Domain of DYNEIN-C
Descriptor: Dynein heavy chain 9
Authors:Kato, Y, Yagi, T, Ohki, S, Burgess, S, Honda, S, Kamiya, R, Tanokura, M.
Deposit date:2010-06-04
Release date:2011-06-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the microtubule-binding domain of flagellar dynein
Structure, 22, 2014
2ZKW
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BU of 2zkw by Molmil
Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21
Descriptor: COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Yoshikawa, S, Kukimoto-Niino, M, Ito, K, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Shirouzu, M, Urushitani, M, Takahashi, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-03-31
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21
To be Published
1IJ5
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BU of 1ij5 by Molmil
METAL-FREE STRUCTURE OF MULTIDOMAIN EF-HAND PROTEIN, CBP40, FROM TRUE SLIME MOLD
Descriptor: PLASMODIAL SPECIFIC LAV1-2 PROTEIN
Authors:Iwasaki, W, Sasaki, H, Nakamura, A, Kohama, K, Tanokura, M.
Deposit date:2001-04-25
Release date:2003-02-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Metal-Free and Ca(2+)-Bound Structures of a Multidomain EF-Hand Protein, CBP40, from the Lower Eukaryote Physarum polycephalum
Structure, 11, 2003
3AAD
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BU of 3aad by Molmil
Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction
Descriptor: Histone chaperone ASF1A, SULFATE ION, Transcription initiation factor TFIID subunit 1
Authors:Akai, Y, Adachi, N, Hayashi, Y, Eitoku, M, Sano, N, Natsume, R, Kudo, N, Tanokura, M, Senda, T, Horikoshi, M.
Deposit date:2009-11-16
Release date:2010-04-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the histone chaperone CIA/ASF1-double bromodomain complex linking histone modifications and site-specific histone eviction
Proc.Natl.Acad.Sci.USA, 107, 2010
3A76
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BU of 3a76 by Molmil
The crystal structure of LinA
Descriptor: GLYCEROL, Gamma-hexachlorocyclohexane dehydrochlorinase, SPERMIDINE
Authors:Okai, M, Kubota, K, Fukuda, M, Nagata, Y, Nagata, K, Tanokura, M.
Deposit date:2009-09-15
Release date:2010-09-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of g-hexachlorocyclohexane dehydrochlorinase LinA from Sphingobium japonicum UT26
J.Mol.Biol., 2010
3WGB
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BU of 3wgb by Molmil
Crystal structure of aeromonas jandaei L-allo-threonine aldolase
Descriptor: GLYCINE, L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
Authors:Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M.
Deposit date:2013-08-03
Release date:2014-07-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity.
Acta Crystallogr.,Sect.D, 70, 2014
3WGC
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BU of 3wgc by Molmil
Aeromonas jandaei L-allo-threonine aldolase H128Y/S292R double mutant
Descriptor: L-allo-threonine aldolase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
Authors:Qin, H.M, Imai, F.L, Miyakawa, T, Kataoka, M, Okai, M, Ohtsuka, J, Hou, F, Nagata, K, Shimizu, S, Tanokura, M.
Deposit date:2013-08-03
Release date:2014-07-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity.
Acta Crystallogr.,Sect.D, 70, 2014
3WG7
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BU of 3wg7 by Molmil
A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H.
Deposit date:2013-07-29
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014

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