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PDB: 89774 results

6QY4
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BU of 6qy4 by Molmil
Pink beam serial crystallography: Lysozyme, 1 us exposure, 14793 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
5P1Y
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BU of 5p1y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 117
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 (1.518 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2C
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BU of 5p2c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 130
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 (1.749 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2Q
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BU of 5p2q by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 143
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 (1.35 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8C9J
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BU of 8c9j by Molmil
Crystal structure of human NQO1 by serial femtosecond crystallography
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A.
Deposit date:2023-01-23
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
6QYP
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BU of 6qyp by Molmil
Structure of Mcl-1 in complex with compound 13
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-09
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6QZ5
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BU of 6qz5 by Molmil
Structure of Mcl-1 in complex with compound 8a
Descriptor: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
Deposit date:2019-03-11
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
5P0K
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BU of 5p0k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 67
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 (1.6 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8QK5
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BU of 8qk5 by Molmil
Structure of K. pneumoniae LpxH in complex with EBL-3647
Descriptor: 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
5P34
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BU of 5p34 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 157
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 (1.209 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3I
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BU of 5p3i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 171
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 (1.25 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3Z
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BU of 5p3z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 188
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 (1.196 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0Y
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BU of 5p0y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 81
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 (1.32 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1C
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BU of 5p1c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 95
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 (1.347 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1Q
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BU of 5p1q by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 109
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 (1.17 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P26
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BU of 5p26 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 124
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 (1.411 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6QMN
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BU of 6qmn by Molmil
Crystal structure of a Ribonuclease A-Onconase chimera
Descriptor: PHOSPHATE ION, Ribonuclease pancreatic
Authors:Esposito, L, Vitagliano, L, Ruggiero, A, Picone, D, Leone, S, Donnarumma, F.
Deposit date:2019-02-07
Release date:2019-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera.
Int.J.Biol.Macromol., 133, 2019
5P4E
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BU of 5p4e by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 203
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 (1.399 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4W
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BU of 5p4w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 221
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
5P5C
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BU of 5p5c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 237
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 (1.339 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5R
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BU of 5p5r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 252
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 (1.308 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P66
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BU of 5p66 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 267
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 (1.187 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2P5L
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BU of 2p5l by Molmil
Crystal structure of a dimer of N-terminal domains of AhrC in complex with an 18bp DNA operator site
Descriptor: Arginine repressor, DNA (5'-D(*DCP*DAP*DTP*DGP*DAP*DAP*DTP*DAP*DAP*DAP*DAP*DAP*DTP*DTP*DCP*DAP*DAP*DG)-3'), DNA (5'-D(*DCP*DTP*DTP*DGP*DAP*DAP*DTP*DTP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DG)-3'), ...
Authors:Garnett, J.A, Marincs, F, Baumberg, S, Stockley, P.G, Phillips, S.E.V.
Deposit date:2007-03-15
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and function of the arginine repressor-operator complex from Bacillus subtilis.
J.Mol.Biol., 379, 2008
5P6K
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BU of 5p6k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 281
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 (1.607 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2K
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BU of 5p2k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 138
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 (1.822 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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