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4Y36
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BU of 4y36 by Molmil
Endothiapepsin in complex with fragment 4
Descriptor: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3P
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BU of 4y3p by Molmil
Endothiapepsin in complex with fragment 17
Descriptor: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL
Authors:Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
2W93
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BU of 2w93 by Molmil
Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant E477Q in complex with the surrogate pyruvamide
Descriptor: (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate, MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, ...
Authors:Kutter, S, Weiss, M.S, Konig, S.
Deposit date:2009-01-21
Release date:2009-02-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Allosteric Activation of Pyruvate Decarboxylases. A Never-Ending Story.
J.Mol.Catal., B Enzym., 61, 2014
4A6N
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BU of 4a6n by Molmil
STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH TIGECYCLINE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TETX2 PROTEIN, ...
Authors:Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W.
Deposit date:2011-11-07
Release date:2012-11-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx
Acta Crystallogr.,Sect.D, 69, 2013
4A99
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BU of 4a99 by Molmil
STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE
Descriptor: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W.
Deposit date:2011-11-25
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Putative Dioxygen-Binding Sites and Recognition of Tigecycline and Minocycline in the Tetracycline-Degrading Monooxygenase Tetx
Acta Crystallogr.,Sect.D, 69, 2013
1L9M
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BU of 1l9m by Molmil
Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions change structure for activation
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Ahvazi, B.
Deposit date:2002-03-26
Release date:2002-05-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions changes structure for activation.
EMBO J., 21, 2002
1L9N
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BU of 1l9n by Molmil
Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions change structure for activation
Descriptor: 2-O-octyl-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Ahvazi, B.
Deposit date:2002-03-26
Release date:2002-05-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions changes structure for activation.
EMBO J., 21, 2002
4HZG
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BU of 4hzg by Molmil
Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Stsiapanava, A, Weiss, M.S, Mesters, J.R, Kuta Smatanova, I.
Deposit date:2012-11-15
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
1OPF
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BU of 1opf by Molmil
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
Descriptor: MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Cowan, S.W, Schirmer, T, Pauptit, R.A, Jansonius, J.N.
Deposit date:1994-11-21
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of OmpF porin in a tetragonal crystal form.
Structure, 3, 1995
7PSC
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BU of 7psc by Molmil
Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2021-09-22
Release date:2023-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
1PHO
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BU of 1pho by Molmil
CRYSTAL STRUCTURES EXPLAIN FUNCTIONAL PROPERTIES OF TWO E. COLI PORINS
Descriptor: PHOSPHOPORIN
Authors:Schirmer, T, Cowan, S.W, Jansonius, J.N.
Deposit date:1993-01-15
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures explain functional properties of two E. coli porins.
Nature, 358, 1992
5MB7
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BU of 5mb7 by Molmil
Cocktail experiment B: fragments 224 and 236 at 50mM concentration
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, Endothiapepsin, GLYCEROL
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
5MB3
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BU of 5mb3 by Molmil
Fragment 333 at a concentration of 50mM in complex with Endothiapepsin
Descriptor: 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
5MB6
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BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
Descriptor: Endothiapepsin, GLYCEROL, SULFATE ION
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
6HG8
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BU of 6hg8 by Molmil
Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V.
Deposit date:2018-08-22
Release date:2019-09-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
To Be Published
5OZB
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BU of 5ozb by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 22
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZP
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BU of 5ozp by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 36
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P03
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BU of 5p03 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 50
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0I
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BU of 5p0i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 65
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0U
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BU of 5p0u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 77
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P19
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BU of 5p19 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 92
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1P
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BU of 5p1p by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 108
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P23
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BU of 5p23 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 121
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.713 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2F
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BU of 5p2f by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 133
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

238582

数据于2025-07-09公开中

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