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5A8G
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BU of 5a8g by Molmil
Crystal structure of the wild-type Staphylococcus aureus N- acetylneurminic acid lyase in complex with fluoropyruvate
Descriptor: N-ACETYLNEURAMINATE LYASE
Authors:Stockwell, J, Daniels, A.D, Windle, C.L, Harman, T, Woodhall, T, Trinh, C.H, Lebel, T, Pearson, A.R, Mulholland, K, Berry, A, Nelson, A.
Deposit date:2015-07-15
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Evaluation of Fluoropyruvate as Nucleophile in Reactions Catalysed by N-Acetyl Neuraminic Acid Lyase Variants: Scope, Limitations and Stereoselectivity.
Org.Biomol.Chem., 14, 2016
7KJU
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BU of 7kju by Molmil
Cgi121-tRNA complex
Descriptor: MAGNESIUM ION, RNA (75-MER)
Authors:Ceccarelli, D.F, Beenstock, J, Wan, L.C.K, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
7KJT
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BU of 7kjt by Molmil
KEOPS tRNA modifying sub-complex of archaeal Cgi121 and tRNA
Descriptor: RNA (70-MER), Regulatory protein Cgi121
Authors:Ceccarelli, D.F, Beenstock, J, Mao, D.Y.L, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
6GFF
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BU of 6gff by Molmil
Structure of GARP (LRRC32) in complex with latent TGF-beta1 and MHG-8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing protein 32, MHG-8 Fab heavy chain, ...
Authors:Merceron, R, Lienart, S, Vanderaa, C, Colau, D, Stockis, J, Van Der Woning, B, De Haard, H, Saunders, M, Coulie, P.G, Savvides, S.N, Lucas, S.
Deposit date:2018-04-30
Release date:2018-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of latent TGF-beta 1 presentation and activation by GARP on human regulatory T cells.
Science, 362, 2018
2OUL
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BU of 2oul by Molmil
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Descriptor: Chagasin, Falcipain 2
Authors:Wang, S.X, Chand, K, Huang, R, Whisstock, J, Jacobelli, J, Fletterick, R.J, Rosenthal, P.J, McKerrow, J.H.
Deposit date:2007-02-11
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of an inhibitor family.
Structure, 15, 2007
2JF7
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BU of 2jf7 by Molmil
Structure of Strictosidine Glucosidase
Descriptor: STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J.
Deposit date:2007-01-26
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular Architecture of Strictosidine Glucosidase - the Gateway to the Biosynthesis of the Monoterpenoid Indole Alkaloid Family
Plant Cell, 19, 2007
2JF6
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BU of 2jf6 by Molmil
Structure of inactive mutant of Strictosidine Glucosidase in complex with strictosidine
Descriptor: METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J.
Deposit date:2007-01-26
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Molecular Architecture of Strictosidine Glucosidase - the Gateway to the Biosynthesis of the Monoterpenoid Indole Alkaloid Family
Plant Cell, 19, 2007
1CHD
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BU of 1chd by Molmil
CHEB METHYLESTERASE DOMAIN
Descriptor: CHEB METHYLESTERASE
Authors:West, A.H, Martinez-Hackert, E, Stock, A.M.
Deposit date:1995-03-09
Release date:1996-01-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the catalytic domain of the chemotaxis receptor methylesterase, CheB.
J.Mol.Biol., 250, 1995
2CHF
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BU of 2chf by Molmil
STRUCTURE OF THE MG2+-BOUND FORM OF CHEY AND THE MECHANISM OF PHOSPHORYL TRANSFER IN BACTERIAL CHEMOTAXIS
Descriptor: CHEY
Authors:Stock, A, Martinez-Hackert, E, Rasmussen, B, West, A, Stock, J, Ringe, D, Petsko, G.
Deposit date:1994-01-17
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Mg(2+)-bound form of CheY and mechanism of phosphoryl transfer in bacterial chemotaxis.
Biochemistry, 32, 1993
2CHE
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BU of 2che by Molmil
STRUCTURE OF THE MG2+-BOUND FORM OF CHEY AND MECHANISM OF PHOSPHORYL TRANSFER IN BACTERIAL CHEMOTAXIS
Descriptor: CHEY, MAGNESIUM ION
Authors:Stock, A, Martinez-Hackert, E, Rasmussen, B, West, A, Stock, J, Ringe, D, Petsko, G.
Deposit date:1994-01-17
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Mg(2+)-bound form of CheY and mechanism of phosphoryl transfer in bacterial chemotaxis.
Biochemistry, 32, 1993
3C5V
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BU of 3c5v by Molmil
PP2A-specific methylesterase apo form (PME)
Descriptor: Protein phosphatase methylesterase 1
Authors:Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y.
Deposit date:2008-02-01
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
3C5W
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BU of 3c5w by Molmil
Complex between PP2A-specific methylesterase PME-1 and PP2A core enzyme
Descriptor: PP2A A subunit, PP2A C subunit, PP2A-specific methylesterase PME-1
Authors:Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y.
Deposit date:2008-02-01
Release date:2008-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
5KX5
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BU of 5kx5 by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound 11 complex
Descriptor: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Parris, K.
Deposit date:2016-07-20
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads.
ACS Med Chem Lett, 7, 2016
4H8S
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BU of 4h8s by Molmil
Crystal structure of human APPL2BARPH domain
Descriptor: DCC-interacting protein 13-beta
Authors:Martin, J.L, King, G.J.
Deposit date:2012-09-23
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Membrane Curvature Protein Exhibits Interdomain Flexibility and Binds a Small GTPase.
J.Biol.Chem., 287, 2012
4ZPE
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BU of 4zpe by Molmil
BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPF
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BU of 4zpf by Molmil
BACE1 in complex with 8-(3-((1-aminopropan-2-yl)oxy)benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPG
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BU of 4zpg by Molmil
BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Descriptor: (5R,7S)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2015-05-07
Release date:2015-08-05
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
Bioorg.Med.Chem.Lett., 25, 2015
8DZV
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BU of 8dzv by Molmil
Chicken anti-cardiac Troponin I antibody in complex with peptide
Descriptor: PHOSPHATE ION, POTASSIUM ION, cTnI peptide, ...
Authors:Conroy, P.J, Law, H.P.
Deposit date:2022-08-08
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Design of Polarity-Dependent Immunosensors Based on the Structural Analysis of Engineered Antibodies.
Acs Chem.Biol., 18, 2023
3ZJ6
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BU of 3zj6 by Molmil
Crystal of Raucaffricine Glucosidase in complex with inhibitor
Descriptor: (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
2VAQ
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BU of 2vaq by Molmil
STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH INHIBITOR
Descriptor: (2S,3R,4S)-methyl 4-(2-(2-(1H-indol-3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate, STRICTOSIDINE SYNTHASE
Authors:Maresh, J, Giddings, L.A, Friedrich, A, Loris, E.A, Panjikar, S, Trout, B.L, Stoeckigt, J, Peters, B, O'Connor, S.E.
Deposit date:2007-09-04
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Strictosidine synthase: mechanism of a Pictet-Spengler catalyzing enzyme.
J. Am. Chem. Soc., 130, 2008
6Q4S
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BU of 6q4s by Molmil
Crystal structure of a-eudesmol synthase
Descriptor: CHLORIDE ION, Pentalenene synthase
Authors:Correia Cordeiro, R.S, Hakansson, M, Logan, D.T, Kourist, R.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of three novel sesquiterpene synthases from Streptomyces chartreusis NRRL 3882 and crystal structure of an alpha-eudesmol synthase.
J.Biotechnol., 297, 2019
2V91
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BU of 2v91 by Molmil
STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH STRICTOSIDINE
Descriptor: METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE SYNTHASE
Authors:Loris, E.A, Panjikar, S, Ruppert, M, Barleben, L, Unger, M, Stoeckigt, J.
Deposit date:2007-08-16
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure Based Engineering of Strictosidine Synthase: Auxiliary for Alkaloid Libraries
Chem.Biol., 14, 2007
2BGH
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BU of 2bgh by Molmil
Crystal structure of Vinorine Synthase
Descriptor: VINORINE SYNTHASE
Authors:Ma, X, Koepke, J, Panjikar, S, Fritzsch, G, Stoeckigt, J.
Deposit date:2004-12-22
Release date:2005-01-24
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Vinorine Synthase, the First Representative of the Bahd Superfamily.
J.Biol.Chem., 280, 2005
3GZJ
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BU of 3gzj by Molmil
Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
Descriptor: 16-epi-Vellosimine, Polyneuridine-aldehyde esterase
Authors:Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J.
Deposit date:2009-04-07
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
Angew.Chem.Int.Ed.Engl., 48, 2009
2WFL
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BU of 2wfl by Molmil
Crystal structure of polyneuridine aldehyde esterase
Descriptor: POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009

 

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