5VKC
| Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | Descriptor: | 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Judge, R.A, Souers, A.J. | Deposit date: | 2017-04-21 | Release date: | 2017-05-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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5NE1
| L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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5NE3
| L2 class A serine-beta-lactamase complexed with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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6ZJ8
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5AAU
| Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | Descriptor: | 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | Deposit date: | 2015-07-28 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
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5AAV
| Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | Deposit date: | 2015-07-29 | Release date: | 2015-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
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5OKD
| Crystal structure of bovine Cytochrome bc1 in complex with inhibitor SCR0911. | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2017-07-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6B4L
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5NMS
| Hsp21 dodecamer, structural model based on cryo-EM and homology modelling | Descriptor: | 25.3 kDa heat shock protein, chloroplastic | Authors: | Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C. | Deposit date: | 2017-04-07 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity. J. Biol. Chem., 292, 2017
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6B4U
| Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | Descriptor: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Judge, R.A, Souers, A.J. | Deposit date: | 2017-09-27 | Release date: | 2017-10-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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5KTX
| CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KTW
| CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | Authors: | Murray, J.M, Boenig, G. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.087 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KTU
| Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | Descriptor: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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7OE7
| Apo-structure of Lassa virus L protein (well-resolved alpha ribbon) [APO-RIBBON] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-01 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJK
| Lassa virus L protein bound to the distal promoter duplex [DISTAL-PROMOTER] | Descriptor: | 3' RNA, 5' RNA, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OCH
| Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-04-26 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OEA
| Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJN
| Lassa virus L protein in an elongation conformation [ELONGATION] | Descriptor: | 3' RNA, 5' RNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OEB
| Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO] | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-02 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OE3
| Apo-structure of Lassa virus L protein (well-resolved endonuclease) [APO-ENDO] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-01 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJL
| Lassa virus L protein in a pre-initiation conformation [PREINITIATION] | Descriptor: | 3' RNA, 5' RNA, MANGANESE (II) ION, ... | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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7OJJ
| Lassa virus L protein with endonuclease and C-terminal domains in close proximity [MID-LINK] | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | Deposit date: | 2021-05-16 | Release date: | 2021-12-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity. Nat Commun, 12, 2021
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6QM8
| Leishmania tarentolae proteasome 20S subunit apo structure | Descriptor: | Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ... | Authors: | Rowland, P, Goswami, P. | Deposit date: | 2019-02-01 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition. Proc.Natl.Acad.Sci.USA, 116, 2019
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6QM7
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5NE2
| L2 class A serine-beta-lactamase | Descriptor: | Beta-lactamase, D-GLUTAMIC ACID | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | Deposit date: | 2017-03-09 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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