2OHT
 
 | | X-ray crystal structure of beta secretase complexed with compound 7 | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-10 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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7L49
 | | Cryo-EM structure of CRISPR-Cas12f Ternary Complex | | Descriptor: | Cas12f1, NTS, Substrate, ... | | Authors: | Chang, L, Li, Z. | | Deposit date: | 2020-12-18 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for substrate recognition and cleavage by the dimerization-dependent CRISPR-Cas12f nuclease.
Nucleic Acids Res., 49, 2021
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7L48
 | | Cryo-EM structure of a CRISPR-Cas12f Binary Complex | | Descriptor: | Cas12f, ZINC ION, sgRNA | | Authors: | Chang, L, Li, Z. | | Deposit date: | 2020-12-18 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for substrate recognition and cleavage by the dimerization-dependent CRISPR-Cas12f nuclease.
Nucleic Acids Res., 49, 2021
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7LL2
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7LL1
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7EFX
 | | Crystal Structure of human PIN1 complexed with covalent inhibitor | | Descriptor: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J, Zhu, R, Pei, Y. | | Deposit date: | 2021-03-23 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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6K12
 | | Babesia microti lactate dehydrogenase apo form (BmLDH) | | Descriptor: | L-lactate dehydrogenase | | Authors: | Long, Y. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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3NEW
 | | p38-alpha complexed with Compound 10 | | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | | Deposit date: | 2010-06-09 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
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3PDU
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3PEF
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5E1R
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8I8F
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Shi, X, Liu, W. | | Deposit date: | 2023-02-04 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8IAZ
 | | Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex | | Descriptor: | DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ... | | Authors: | Yin, M, Zhou, F, Zhu, Y, Huang, Z. | | Deposit date: | 2023-02-09 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
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8J19
 | | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | | Descriptor: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J18
 | | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J1A
 | | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | | Descriptor: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8JA8
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8JAC
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16 | | Descriptor: | N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA7
 | | Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose | | Descriptor: | Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ... | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAB
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06 | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAD
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17 | | Descriptor: | BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA9
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03 | | Descriptor: | SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAA
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04 | | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5FBH
 | | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-06-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
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3FCM
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