6YVX
 
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | | Descriptor: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | | Authors: | Chowdhury, R, Banerji, B, Schofield, C.J. | | Deposit date: | 2020-04-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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7F5C
 | | Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound | | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65004492 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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6WU2
 | | Structure of the LaINDY-malate complex | | Descriptor: | DASS family sodium-coupled anion symporter, DECANE, HEXANE, ... | | Authors: | Sauer, D.B, Marden, J.J, Cocco, N, Song, J.M, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2020-05-04 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
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7F5E
 | | Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound | | Descriptor: | N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20017123 Å) | | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
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5I97
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1TIW
 | | Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with L-Tetrahydro-2-furoic acid | | Descriptor: | Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID | | Authors: | Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F. | | Deposit date: | 2004-06-02 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors
Biochemistry, 43, 2004
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1T7F
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL motif | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, LxxLL motif peptide | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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1T7M
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxYF motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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6T2Z
 | | Streptavidin variants harbouring an artificial organocatalyst based cofactor | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | | Authors: | Lechner, H, Hocker, B. | | Deposit date: | 2019-10-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
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8G76
 | | SARS-CoV-2 spike/Nb5 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-5, ... | | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | | Deposit date: | 2023-02-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Dual-role epitope on SARS-CoV-2 spike enhances and neutralizes viral entry across different variants.
Plos Pathog., 20, 2024
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8G77
 | | SARS-CoV-2 spike/Nb6 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-6, ... | | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | | Deposit date: | 2023-02-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Dual-role epitope on SARS-CoV-2 spike enhances and neutralizes viral entry across different variants.
Plos Pathog., 20, 2024
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4KLI
 | | DNA polymerase beta matched product complex with Mg2+, 90 s | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | | Deposit date: | 2013-05-07 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
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4J68
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5LE1
 | | VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16) | | Descriptor: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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1T9R
 | | Catalytic Domain Of Human Phosphodiesterase 5A | | Descriptor: | CITRIC ACID, PHOSPHATE ION, ZINC ION, ... | | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | | Deposit date: | 2004-05-18 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
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6WFH
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex | | Descriptor: | (3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name), CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
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6X9H
 | | Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1) | | Descriptor: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | | Authors: | Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
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3D62
 | | Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro | | Descriptor: | 3C-like proteinase, benzyl (2-oxopropyl)carbamate | | Authors: | Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E. | | Deposit date: | 2008-05-18 | | Release date: | 2008-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
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8UXJ
 | | Caulobacter crescentus FljK flagellar filament (asymmetrical) | | Descriptor: | Flagellin FljK | | Authors: | Sanchez, J.C, Montemayor, E.J, Ploscariu, N.T, Parrell, D, Baumgardt, J.K, Yang, J.E, Sibert, B, Cai, K, Wright, E.R. | | Deposit date: | 2023-11-09 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Atomic-level architecture of Caulobacter crescentus flagellar filaments provide evidence for multi-flagellin filament stabilization
To Be Published
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8UTO
 | | KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule - class T2L1 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
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4JQ0
 | | Voltage-gated sodium channel 1.5 C-terminal domain in complex with FGF12B and Ca2+/calmodulin | | Descriptor: | CALCIUM ION, Calmodulin, Fibroblast growth factor 12, ... | | Authors: | Wang, C, Chung, B.C, Yan, H, Wang, H.G, Lee, S.Y, Pitt, G.S. | | Deposit date: | 2013-03-19 | | Release date: | 2014-05-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.84 Å) | | Cite: | Structural analyses of Ca(2+)/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation.
Nat Commun, 5, 2014
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8UTN
 | | KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule (class T23L1) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
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1T48
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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2N2J
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1T4W
 | | Structural Differences in the DNA Binding Domains of Human p53 and its C. elegans Ortholog Cep-1: Structure of C. elegans Cep-1 | | Descriptor: | C.Elegans p53 tumor suppressor-like transcription factor, ZINC ION | | Authors: | Huyen, Y, Jeffrey, P.D, Derry, W.B, Rothman, J.H, Pavletich, N.P, Stavridi, E.S, Halazonetis, T.D. | | Deposit date: | 2004-04-30 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Differences in the DNA Binding Domains of Human p53 and Its C. elegans Ortholog Cep-1.
Structure, 12, 2004
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