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6WO2
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Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl
分子名称: ACE-PTR-02K-ASN-U67, CALCIUM ION, Growth factor receptor-bound protein 2, ...
著者Martin, S.F, Clements, J.H.
登録日2020-04-24
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
6HZN
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BU of 6hzn by Molmil
Crystal structure of human dermatan sulfate epimerase 1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E.
登録日2018-10-23
公開日2020-01-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Chem Sci, 2020
6HCH
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BU of 6hch by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.6 A RESOLUTION.
分子名称: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, CHLORIDE ION, ...
著者Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
登録日2018-08-15
公開日2019-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
2X1L
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BU of 2x1l by Molmil
Crystal structure of Mycobacterium smegmatis methionyl-tRNA synthetase in complex with methionine and adenosine
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE, DIHYDROGENPHOSPHATE ION, ...
著者Ingvarsson, H, Jones, T.A, Unge, T.
登録日2009-12-31
公開日2010-07-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Flexibility and Communication within the Structure of the Mycobacterium Smegmatis Methionyl-tRNA Synthetase.
FEBS J., 277, 2010
2Y32
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BU of 2y32 by Molmil
Crystal structure of bradavidin
分子名称: BLR5658 PROTEIN
著者Leppiniemi, J, Gronroos, T, Johnson, M.S, Kulomaa, M.S, Hytonen, V.P, Airenne, T.T.
登録日2010-12-17
公開日2011-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of Bradavidin - C-Terminal Residues Act as Intrinsic Ligands.
Plos One, 7, 2012
2WOD
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BU of 2wod by Molmil
Crystal Structure of the dinitrogenase reductase-activating glycohydrolase (DRAG) from Rhodospirillum rubrum in complex with ADP- ribsoyllysine
分子名称: ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, CHLORIDE ION, GLYCEROL, ...
著者Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M.
登録日2009-07-23
公開日2009-08-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag.
Proc.Natl.Acad.Sci.USA, 106, 2009
2X7Z
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BU of 2x7z by Molmil
Crystal Structure of the SAP97 PDZ2 I342W C378A mutant protein domain
分子名称: AMMONIUM ION, DISKS LARGE HOMOLOG 1, IMIDAZOLE
著者Haq, S.R, Jurgens, M.C, Chi, C.N, Elfstrom, L, Koh, C.S, Selmer, M, Gianni, S, Jemth, P.
登録日2010-03-04
公開日2010-03-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Plastic Energy Landscape of Protein Folding: A Triangular Folding Mechanism with an Equilibrium Intermediate for a Small Protein Domain.
J.Biol.Chem., 285, 2010
8H79
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The crystal structure of cyanorhodopsin-II (CyR-II) P7104R from Nodosilinea nodulosa PCC 7104
分子名称: CHLORIDE ION, HEXADECANE, HEXANE, ...
著者Hosaka, T, Kimura-Someya, T, Shirouzu, M.
登録日2022-10-19
公開日2023-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Cyanorhodopsin-II represents a yellow-absorbing proton-pumping rhodopsin clade within cyanobacteria.
Isme J, 18, 2024
2W4I
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BU of 2w4i by Molmil
Crystal structure of Helicobacter pylori glutamate racemase in complex with D-Glutamate and an inhibitor
分子名称: 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL, D-GLUTAMIC ACID, GLUTAMATE RACEMASE
著者Lundqvist, T.
登録日2008-11-25
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Potent and selective inhibitors of Helicobacter pylori glutamate racemase (MurI): pyridodiazepine amines.
Bioorg. Med. Chem. Lett., 19, 2009
2XJL
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BU of 2xjl by Molmil
Monomeric Human Cu,Zn Superoxide dismutase without Cu ligands
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Saraboji, K, Leinartaite, L, Nordlund, A, Oliveberg, M, Logan, D.T.
登録日2010-07-07
公開日2010-09-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Folding Catalysis by Transient Coordination of Zn2+ to the Cu Ligands of the Als-Associated Enzyme Cu/Zn Superoxide Dismutase 1.
J.Am.Chem.Soc., 132, 2010
7TTP
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BU of 7ttp by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTA
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BU of 7tta by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTQ
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BU of 7ttq by Molmil
P450 (OxyA) from kistamicin biosynthesis, imidazole complex
分子名称: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTO
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BU of 7tto by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
分子名称: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTB
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BU of 7ttb by Molmil
P450 (OxyA) from kistamicin biosynthesis, Y99F mutant
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.801592 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
6I6Y
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BU of 6i6y by Molmil
Circular permutant of ribosomal protein S6, swap helix 2
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6IBH
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BU of 6ibh by Molmil
Copper binding protein from Laetisaria arvalis (LaX325)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity CAZyme, COPPER (II) ION, ...
著者Frandsen, K.E.H, Tandrup, T, Labourel, A, Haon, M, Berrin, J.-G, Lo Leggio, L.
登録日2018-11-30
公開日2019-11-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A fungal family of lytic polysaccharide monooxygenase-like copper proteins.
Nat.Chem.Biol., 16, 2020
2WD6
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Crystal structure of the Variable Domain of the Streptococcus gordonii Surface Protein SspB
分子名称: AGGLUTININ RECEPTOR, CALCIUM ION, GLYCEROL, ...
著者Forsgren, N, Persson, K.
登録日2009-03-20
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Variable Domain of the Streptococcus Gordonii Surface Protein Sspb.
Protein Sci., 18, 2009
6HCA
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BU of 6hca by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION
分子名称: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
登録日2018-08-14
公開日2019-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6HCB
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BU of 6hcb by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION.
分子名称: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Laulumaa, S, Masternak, M, Frydenvang, K, Kastrup, J.S.
登録日2018-08-14
公開日2019-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6I6S
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BU of 6i6s by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
2YKM
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BU of 2ykm by Molmil
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
分子名称: 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D.
登録日2011-05-28
公開日2011-08-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.
J.Med.Chem., 54, 2011
2X2Y
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BU of 2x2y by Molmil
Cellulomonas fimi endo-beta-1,4-mannanase double mutant
分子名称: FORMIC ACID, MAGNESIUM ION, MAN26A
著者Hekmat, O, Lo Leggio, L, Rosengren, A, Kamarauskaite, J, Kolenova, K, Staalbrand, H.
登録日2010-01-18
公開日2010-06-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Engineering of Mannosyl Binding in the Distal Glycone Subsites of Cellulomonas Fimi Endo-Beta-1,4-Mannanase: Mannosyl Binding Promoted at Subsite -2 and Demoted at Subsite -3 .
Biochemistry, 49, 2010
2Y1D
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BU of 2y1d by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
分子名称: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2W65
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Anti citrullinated Collagen type 2 antibody acc4 in complex with a citrullinated peptide
分子名称: ANTI-CITRULLINATED COLLAGEN TYPE II FAB ACC4, COLLAGEN DERIVED PEPTIDE PCII-CIT1, SULFATE ION
著者Uysal, H, Bockermann, R, Nandakumar, K.S, Sehnert, B, Bajtner, E, Engstrom, A, Serre, G, Burkhardt, H, Thunnissen, M.M.G.M, Holmdahl, R.
登録日2008-12-17
公開日2009-02-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure and pathogenicity of antibodies specific for citrullinated collagen type II in experimental arthritis.
J. Exp. Med., 206, 2009

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