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4Y3D
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BU of 4y3d by Molmil
Endothiapepsin in complex with fragment 321
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Crystallographic Fragment Screening of an Entrire Library
To Be Published
4Y5M
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BU of 4y5m by Molmil
Endothiapepsin in complex with fragment 328
Descriptor: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5N
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BU of 4y5n by Molmil
Endothiapepsin in complex with fragment 337
Descriptor: 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y4B
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BU of 4y4b by Molmil
Endothiapepsin in complex with fragment 323
Descriptor: 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, Endothiapepsin, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.108 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5P
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BU of 4y5p by Molmil
Endothiapepsin in complex with fragment 338
Descriptor: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Fu, K, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
8HFK
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BU of 8hfk by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
Descriptor: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8HFJ
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BU of 8hfj by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone
Descriptor: 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
6LQB
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BU of 6lqb by Molmil
A third intermediate state of L,D-transpeptidase LdtMt2-ertapenem adduct
Descriptor: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, ACETIC ACID, GLYCEROL, ...
Authors:Li, D.F, Qin, Y.L.
Deposit date:2020-01-13
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A New State I-plus Observed for the L,D-transpeptidase LdtMt2-ertapenem Adduct
Prog.Biochem.Biophys., 47, 2020
3SQJ
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BU of 3sqj by Molmil
Recombinant human serum albumin from transgenic plant
Descriptor: MYRISTIC ACID, Serum albumin
Authors:He, Y, Yang, D.
Deposit date:2011-07-05
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
5P0J
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BU of 5p0j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 66
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYW
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BU of 5oyw by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 7
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0X
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BU of 5p0x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 80
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1B
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BU of 5p1b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 94
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 (1.378 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1M
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BU of 5p1m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 105
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1W
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BU of 5p1w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 115
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 (1.23 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ5
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BU of 5oz5 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 16
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZF
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BU of 5ozf by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 26
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.527 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZR
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BU of 5ozr by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 38
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P02
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BU of 5p02 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 49
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 (1.487 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2A
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BU of 5p2a by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 128
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.373 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2O
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BU of 5p2o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 142
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.119 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P31
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BU of 5p31 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 154
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0D
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BU of 5p0d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 60
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 (1.849 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0V
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BU of 5p0v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 78
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P16
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BU of 5p16 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 89
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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