6QRF
 
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | (phenylmethyl) 1~{H}-pyrazole-4-carboxylate, SULFATE ION, 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 (1.86 Å) | | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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8SGA
 | | Crystal structure of 770E11, a monoclonal antibody isolated from a human Epstein-Barr virus seropositive donor | | Descriptor: | 770E11 Fab heavy chain, 770E11 Fab light chain, GLYCEROL, ... | | Authors: | Chen, W.H, Jensen, J.L, Joyce, M.G. | | Deposit date: | 2023-04-12 | | Release date: | 2024-04-17 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for complement receptor engagement and virus neutralization through Epstein-Barr virus gp350.
Immunity, 58, 2025
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6ZA9
 | | Fo domain of Ovine ATP synthase | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit C1, mitochondrial, ... | | Authors: | Pinke, G, Zhou, L, Sazanov, L.A. | | Deposit date: | 2020-06-05 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM structure of the entire mammalian F-type ATP synthase.
Nat.Struct.Mol.Biol., 27, 2020
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8D66
 | | ELIC with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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6TDQ
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | Deposit date: | 2019-11-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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9KAI
 | | Crystal Structure of Chalcone Isomerase-like Protein from Physcomitrella patens | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chalcone-flavonone isomerase family protein, ... | | Authors: | Imaizumi, R, Waki, T, Yasuda, A, Yanai, T, Takeshita, K, Sakai, N, Yamamoto, M, Nakayama, T, Yamashita, S. | | Deposit date: | 2024-10-28 | | Release date: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural basis, dynamics, and mode of action of enhancer of flavonoid production in metabolon
To Be Published
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5XHQ
 | | Apolipoprotein N-acyl Transferase | | Descriptor: | Apolipoprotein N-acyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Yingzhi, X, Yong, X, Guangyuan, L, Fei, S. | | Deposit date: | 2017-04-23 | | Release date: | 2017-07-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.587 Å) | | Cite: | Crystal structure of E. coli apolipoprotein N-acyl transferase
Nat Commun, 8, 2017
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6O1G
 | | Full length human plasma kallikrein with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-19 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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6TDS
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | Deposit date: | 2019-11-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TE2
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | | Descriptor: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-11 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.922 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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7MXX
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6TFR
 | | Linalool Dehydratase Isomerase C180A mutant | | Descriptor: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI | | Authors: | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | | Deposit date: | 2019-11-14 | | Release date: | 2020-10-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
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8RUG
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV C189A mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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9AXI
 | | HIV 16055.v8.3 SOSIP Env in Complex with Base and N625 Epitope pAbs from Rabbit 2463 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brown, S, Antanasijevic, A, Ward, A.B. | | Deposit date: | 2024-03-06 | | Release date: | 2025-01-29 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Anti-immune complex antibodies are elicited during repeated immunization with HIV Env immunogens.
Sci Immunol, 10, 2025
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9GF5
 | | CRYSTAL STRUCTURE OF COMPLEX OF ASO BINDING FAB FRAGMENT IN COMPLEX WITH ASO980 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R,4S,5R)-4-[[(1R,3R,4R,7S)-7-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Hung-En, H, Zanini, C, Simonneau, C, Fraidling, J, Kraft, T, Mayer, K, Sommer, A, Indlekofer, A, Wirth, T, Benz, J, Georges, G, Langer, M, Gassner, C, Larraillet, V, Manso, M, Ravn, J, Hofer, K, Emrich, T, Niewoehner, J, Schumacher, F, Brinkmann, U. | | Deposit date: | 2024-08-08 | | Release date: | 2025-08-20 | | Last modified: | 2025-11-12 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Improved targeted delivery of antisense oligonucleotide with an antibody mask.
Nucleic Acids Res., 53, 2025
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7BTK
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | | Descriptor: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
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9KLY
 | | Crystal Structure of the bromodomain of human BRD9 in complex with the inhibitor Y22032 | | Descriptor: | 1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone, Bromodomain-containing protein 9 | | Authors: | Chen, Z, Zhang, C, Xu, H, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-11-15 | | Release date: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Key imidazolyl groups that induce phenylalanine flipping enhance the efficacy of oral BRD9 inhibitors for AML treatment
Acta Pharm Sin B, 2025
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9KBL
 | | Crystal structure of T2R-TTL-IKP104 | | Descriptor: | 1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Yan, W, Yang, J. | | Deposit date: | 2024-10-31 | | Release date: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of T2R-TTL-IKP104
To Be Published
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8AXW
 | | The structure of mouse AsterC (GramD1c) with Ezetimibe | | Descriptor: | (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ... | | Authors: | Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2022-09-01 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
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9AY6
 | | HIV BG505.v5.2 (N289/N241) SOSIP Env in Complex with V5 pAb from Rh.33203 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NHP Polyclonal Antibody V5 Epitope - Predicted Heavy Chain, ... | | Authors: | Brown, S, Antansijevic, A, Ward, A.B. | | Deposit date: | 2024-03-07 | | Release date: | 2025-01-29 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Anti-immune complex antibodies are elicited during repeated immunization with HIV Env immunogens.
Sci Immunol, 10, 2025
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7BDO
 | | MAPK14 bound with SR302 | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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5KAC
 | | Protein Tyrosine Phosphatase 1B P185G mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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8S0H
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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6TLO
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE | | Descriptor: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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9DGP
 | | Motor domain of dynein-1 complex on microtubules | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | | Authors: | Rao, Q, Chai, P, Zhang, K. | | Deposit date: | 2024-09-03 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular basis for the assembly of the dynein transport machinery on microtubules.
Biorxiv, 2024
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