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PDB: 89774 results

5P1V
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BU of 5p1v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 114
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2D
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BU of 5p2d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 131
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 (1.299 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
3NJO
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BU of 3njo by Molmil
X-ray crystal structure of the Pyr1-pyrabactin A complex
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYR1, CHLORIDE ION, ...
Authors:Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Peterson, F.C, Volkman, B.F, Cutler, S.R, Jensen, D.R, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-06-17
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:Structural basis for selective activation of ABA receptors.
Nat.Struct.Mol.Biol., 17, 2010
5P2R
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BU of 5p2r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 144
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1U7T
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BU of 1u7t by Molmil
Crystal Structure of ABAD/HSD10 with a Bound Inhibitor
Descriptor: 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT, 3-hydroxyacyl-CoA dehydrogenase type II, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E.
Deposit date:2004-08-04
Release date:2004-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics
J.Mol.Biol., 342, 2004
5P36
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BU of 5p36 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 159
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 (1.369 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3O
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BU of 5p3o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 177
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 (1.249 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QOF
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BU of 6qof by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 9 (Adenine)
Descriptor: 1,2-ETHANEDIOL, ADENINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
5P44
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BU of 5p44 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 193
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 (1.18 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4H
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BU of 5p4h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 206
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 (1.448 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0Q
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BU of 5p0q by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 73
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 (1.48 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P14
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BU of 5p14 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 87
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 (1.24 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1J
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BU of 5p1j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 102
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 (1.369 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QOM
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BU of 6qom by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine)
Descriptor: 3-nitropyridin-2-amine, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOT
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BU of 6qot by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole)
Descriptor: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
5P27
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BU of 5p27 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 125
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 (1.451 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2M
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BU of 5p2m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 140
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 (1.089 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P33
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BU of 5p33 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 156
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3J
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BU of 5p3j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 172
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3X
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BU of 5p3x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 186
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QRE
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BU of 6qre by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
5P4B
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BU of 5p4b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 200
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 (1.199 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4Q
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BU of 5p4q by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 215
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 (1.587 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4V
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BU of 5p4v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 220
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P59
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BU of 5p59 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 234
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 (1.18 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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數據於2024-11-06公開中

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