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5LS2
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BU of 5ls2 by Molmil
Receptor mediated chitin perception in legumes is functionally seperable from Nod factor perception
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LysM type receptor kinase, SULFATE ION
Authors:Bozsoki, Z, Cheng, J, Feng, F, Gysel, K, Andersen, K.R, Oldroyd, G, Blaise, M, Radutoiu, S, Stougaard, J.
Deposit date:2016-08-22
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Receptor-mediated chitin perception in legume roots is functionally separable from Nod factor perception.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GL3
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BU of 6gl3 by Molmil
Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44
Descriptor: (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J.
Deposit date:2018-05-22
Release date:2018-08-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
1WM0
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BU of 1wm0 by Molmil
PPARgamma in complex with a 2-BABA compound
Descriptor: 14-mer from Nuclear receptor coactivator 2, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, Peroxisome proliferator activated receptor gamma
Authors:Ostberg, T, Svensson, S, Selen, G, Uppenberg, J, Thor, M, Sundbom, M, Sydow-Backman, M, Gustavsson, A.L, Jendeberg, L.
Deposit date:2004-07-01
Release date:2004-09-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects
J.Biol.Chem., 279, 2004
5LWW
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BU of 5lww by Molmil
Crystal structure of a laccase-like multicopper oxidase McoG from Aspergillus niger bound to zinc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H.
Deposit date:2016-09-19
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
6TSE
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BU of 6tse by Molmil
Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-20
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
5LWN
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BU of 5lwn by Molmil
Crystal structure of JAK3 in complex with Compound 5 (FM409)
Descriptor: (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ...
Authors:Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-09-18
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Cell Chem Biol, 23, 2016
5LYG
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BU of 5lyg by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO MALONATE
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, MALONATE ION
Authors:Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
Deposit date:2016-09-28
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017
5LIN
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BU of 5lin by Molmil
Lysozyme, collected at rotation 1 degree per second
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Casanas, A, Finke, A, Wang, M.
Deposit date:2016-07-15
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
2G32
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BU of 2g32 by Molmil
Crystal structure of an RNA racemate
Descriptor: CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ...
Authors:Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
Deposit date:2006-02-17
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The first crystal structure of an RNA racemate.
Acta Crystallogr.,Sect.D, 62, 2006
2RCT
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BU of 2rct by Molmil
Crystal structure of human holo cellular retinol-binding protein II (CRBP-II)
Descriptor: L(+)-TARTARIC ACID, RETINOL, Retinol-binding protein II, ...
Authors:Monaco, H.L, Capaldi, S, Perduca, M.
Deposit date:2007-09-20
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human cellular retinol-binding protein II to 1.2 A resolution.
Proteins, 70, 2007
5LIS
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BU of 5lis by Molmil
Insulin solved by Native SAD from a dataset collected in one second
Descriptor: Insulin
Authors:Casanas, A, Finke, A, Wang, M.
Deposit date:2016-07-15
Release date:2016-08-03
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
2FQF
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BU of 2fqf by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
3VVI
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BU of 3vvi by Molmil
Crystal structure of the coiled-coil domain of the transient receptor potential channel from Gibberella zeae (TRPGz)
Descriptor: ACETATE ION, Non selective cation channel homologous to TRP channel
Authors:Ihara, M, Yamashita, A.
Deposit date:2012-07-25
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular bases of multimodal regulation of a fungal transient receptor potential (TRP) channel
J.Biol.Chem., 288, 2013
1WLU
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BU of 1wlu by Molmil
Crystal structure of TT0310 protein from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, GLYCEROL, phenylacetic acid degradation protein PaaI
Authors:Kunishima, N, Sugahara, M, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-06-29
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
8JH0
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BU of 8jh0 by Molmil
Crystal structure of the light-driven sodium pump IaNaR
Descriptor: RETINAL, Xanthorhodopsin
Authors:Hashimoto, T, Kato, K, Tanaka, Y, Yao, M, Kikukawa, T.
Deposit date:2023-05-22
Release date:2023-11-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Multistep conformational changes leading to the gate opening of light-driven sodium pump rhodopsin.
J.Biol.Chem., 299, 2023
1WN3
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BU of 1wn3 by Molmil
Crystal structure of TT0310 protein from Thermus thermophilus HB8
Descriptor: ACETATE ION, CHLORIDE ION, HEXANOYL-COENZYME A, ...
Authors:Kunishima, N, Sugahara, M, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-27
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
6TUH
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BU of 6tuh by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2020-01-07
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
1WSS
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BU of 1wss by Molmil
Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4
Descriptor: CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ...
Authors:Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T.
Deposit date:2004-11-10
Release date:2005-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4.
Acta Crystallogr.,Sect.F, 61, 2005
2G3B
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BU of 2g3b by Molmil
Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
Descriptor: GLYCEROL, putative TetR-family transcriptional regulator
Authors:Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Wang, S, Koclega, K.D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-02-17
Release date:2006-03-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
To be Published
1WV7
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BU of 1wv7 by Molmil
Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine
Descriptor: CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ...
Authors:Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T.
Deposit date:2004-12-11
Release date:2005-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
5LKW
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BU of 5lkw by Molmil
Crystal structure of the peptidoglycan-associated lipoprotein (Pal) from Burkholderia cepacia in complex with DAP
Descriptor: 2,6-DIAMINOPIMELIC ACID, Putative OmpA family lipoprotein
Authors:Romano, M, Ruggiero, A, Berisio, R.
Deposit date:2016-07-25
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Burkholderia cenocepacia peptidoglycan-associated lipoprotein is involved in epithelial cell attachment and elicitation of inflammation.
Cell. Microbiol., 19, 2017
6GK8
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BU of 6gk8 by Molmil
Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71)
Descriptor: CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71)
Authors:Steinbacher, S, Mrosek, M, Juraszek, J.
Deposit date:2018-05-18
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6GL0
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BU of 6gl0 by Molmil
Structure of ZgEngAGH5_4 in complex with a cellotriose
Descriptor: Endoglucanase, family GH5, MAGNESIUM ION, ...
Authors:Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
Deposit date:2018-05-22
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
2GAQ
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BU of 2gaq by Molmil
NMR SOLUTION STRUCTURE OF THE FRB DOMAIN OF mTOR
Descriptor: FKBP12-rapamycin complex-associated protein
Authors:Leone, M, Pellecchia, M.
Deposit date:2006-03-09
Release date:2006-08-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The FRB Domain of mTOR: NMR Solution Structure and Inhibitor Design.
Biochemistry, 45, 2006
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024

222036

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