8JYG
 
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mima, M, Fujimoto, N, Imai, Y. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
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6KW5
 | | The ClassC RSC-Nucleosome Complex | | Descriptor: | Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ... | | Authors: | Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (10.13 Å) | | Cite: | Structure of the RSC complex bound to the nucleosome
To Be Published
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6L6K
 | | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | | Descriptor: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ... | | Authors: | Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
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4M3B
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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6LB4
 | | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator | | Descriptor: | 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ... | | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
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7X9U
 | | Type-II KH motif of human mitochondrial RbfA | | Descriptor: | Putative ribosome-binding factor A, mitochondrial | | Authors: | Kuwasako, K, Suzuki, S, Furue, M, Takizawa, M, Takahashi, M, Tsuda, K, Nagata, T, Watanabe, S, Tanaka, A, Kobayashi, N, Kigawa, T, Guntert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2022-03-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | 1 H, 13 C, and 15 N resonance assignments and solution structures of the KH domain of human ribosome binding factor A, mtRbfA, involved in mitochondrial ribosome biogenesis.
Biomol.Nmr Assign., 16, 2022
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6LB6
 | | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator | | Descriptor: | 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the full and partial agonist activities of retinoid X receptor alpha ligands with an iso-butoxy and an isopropyl group
Biochem.Biophys.Res.Commun., 734, 2024
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7XBK
 | | Structure and mechanism of a mitochondrial AAA+ disaggregase CLPB | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of Caseinolytic peptidase B protein homolog, MAGNESIUM ION, ... | | Authors: | Wu, D, Liu, Y, Dai, Y, Wang, G, Lu, G, Chen, Y, Li, N, Lin, J, Gao, N. | | Deposit date: | 2022-03-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
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3KM5
 | | Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp) | | Descriptor: | CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ... | | Authors: | Li, N, Collyer, C.A, Hunter, N. | | Deposit date: | 2009-11-09 | | Release date: | 2010-03-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
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6KW4
 | | The ClassB RSC-Nucleosome Complex | | Descriptor: | Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ... | | Authors: | Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C. | | Deposit date: | 2019-09-06 | | Release date: | 2019-11-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (7.55 Å) | | Cite: | Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
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6LN3
 | | Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Shibanuma, Y, Nemoto, N, Yamamoto, N, Sampei, G, Kawai, G. | | Deposit date: | 2019-12-28 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP.
J.Biochem., 168, 2020
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6LU8
 | | Cryo-EM structure of a human pre-60S ribosomal subunit - state A | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N. | | Deposit date: | 2020-01-26 | | Release date: | 2020-08-26 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
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6LQM
 | | Cryo-EM structure of a pre-60S ribosomal subunit - state C | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N. | | Deposit date: | 2020-01-14 | | Release date: | 2020-08-26 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
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7XF0
 | | Crystal strucutre of CasDinG in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XF1
 | | Crystal strucutre of apoCasDinG in complex with ssDNA | | Descriptor: | CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3') | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XEX
 | | Crystal strucutre of apoCasDinG | | Descriptor: | CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG1
 | | CryoEM structure of type IV-A Csf-crRNA binary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment
Mol.Cell, 83, 2023
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7XFZ
 | | CryoEM structure of type IV-A Csf-crRNAsp14-dsDNA ternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG0
 | | CryoEM structure of type IV-A Csf-crRNA-dsDNA ternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG4
 | | CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex in a second state | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG2
 | | CryoEM structure of type IV-A NTS-nicked dsDNA bound Csf-crRNA ternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG3
 | | CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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6ME2
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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6ME4
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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259D
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