5KYA
 
 | | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core | | Descriptor: | Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | | Authors: | Chen, G, McKeever, B.M. | | Deposit date: | 2016-07-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
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5MAH
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5MAG
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5M5A
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-10-21 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5LBW
 | | Structure of the human quinone reductase 2 (NQO2) in complex with volitinib | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | | Authors: | Schneider, S, Medard, G, Kuester, B. | | Deposit date: | 2016-06-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5LBZ
 | | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Schneider, S, Medard, G, Kuster, B. | | Deposit date: | 2016-06-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5MAF
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5MAI
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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8TL6
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF5 | | Descriptor: | DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1 | | Authors: | Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
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2A5M
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8Y3W
 | | The Cryo-EM structure of anti-phage defense associated DSR2 tetramer bound with two DSAD1 inhibitors (same side) | | Descriptor: | DSR anti-defence 1, SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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8Y13
 | | Cryo-EM structure of anti-phage defense associated DSR2 tetramer (H171A) | | Descriptor: | SIR2-like domain-containing protein | | Authors: | Li, F.X, Shi, Z.B, Wang, R.W, Xu, Q, Yang, R, Wu, Z.X. | | Deposit date: | 2024-01-23 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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8Y34
 | | Cryo-EM structure of anti-phage defense associated DSR2 (H171A) (map2) | | Descriptor: | SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-28 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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8Y3M
 | | Cryo-EM structure of DSR2-DSAD1 complex (cross-linked) | | Descriptor: | DSR anti-defence 1, SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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8Y3Y
 | | The Cryo-EM structure of anti-phage defense associated DSR2 tetramer bound with two DSAD1 inhibitors (opposite side) | | Descriptor: | DSR anti-defence 1, SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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6D5P
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6D6G
 | | Triclinic lysozyme (295 K) in the presence of 47% MPD | | Descriptor: | Lysozyme C, NITRATE ION | | Authors: | Juers, D.H. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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6D5T
 | | Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, LYSINE, ... | | Authors: | Juers, D.H. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.00003719 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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6DZF
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6IDX
 | | Crystal Structure of BAI1/ELMO2 complex | | Descriptor: | Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2 | | Authors: | Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
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6IE1
 | | Crystal Structure of ELMO2(Engulfment and cell motility protein 2) | | Descriptor: | Engulfment and cell motility protein 2, GLYCEROL | | Authors: | Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W. | | Deposit date: | 2018-09-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
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6D5O
 | | Hexagonal thermolysin (295 K) in the presence of 50% DMF | | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, LYSINE, ... | | Authors: | Juers, D.H. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.00005221 Å) | | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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6D6F
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6D88
 | | Tubulin-RB3_SLD-TTL in complex with compound 13f | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2018-04-26 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities.
J. Med. Chem., 61, 2018
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4HRV
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