6PVR
 
 | | Influenza B M2 Proton Channel in the Closed State - SSNMR Structure at pH 7.5 | | Descriptor: | BM2 protein | | Authors: | Mandala, V.S, Loftis, A.R, Shcherbakov, A.S, Pentelute, B.L, Hong, M. | | Deposit date: | 2019-07-21 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Atomic structures of closed and open influenza B M2 proton channel reveal the conduction mechanism.
Nat.Struct.Mol.Biol., 27, 2020
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5TBV
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with tubercidin | | Descriptor: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, ... | | Authors: | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-09-13 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase
To Be Published
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5TEJ
 | | Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH | | Descriptor: | 2,5 Furan Dicarboxylic Acid, 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Mank, N, Arnette, K, Klapper, V, Chruszcz, M. | | Deposit date: | 2016-09-21 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
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3W0D
 | | Structure of elastase inhibitor AFUEI (cyrstal form I) | | Descriptor: | Elastase inhibitor AFUEI | | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | | Deposit date: | 2012-10-29 | | Release date: | 2013-05-15 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
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3W0E
 | | Structure of elastase inhibitor AFUEI (crystal form II) | | Descriptor: | Elastase inhibitor AFUEI | | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | | Deposit date: | 2012-10-29 | | Release date: | 2013-05-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
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6Q94
 | | Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man | | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-17 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
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6BDX
 | | 4-hydroxy tetrahydrodipicolinate reductase from Neisseria gonorrhoeae | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION | | Authors: | Pote, S.S, Pye, S.E, Sheahan, T.E, Chruszcz, M. | | Deposit date: | 2017-10-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae - structure and interactions with coenzymes and substrate analog.
Biochem. Biophys. Res. Commun., 503, 2018
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3W1U
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111 | | Descriptor: | 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2012-11-21 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-111
To be Published
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1K94
 | | Crystal structure of des(1-52)grancalcin with bound calcium | | Descriptor: | CALCIUM ION, GRANCALCIN | | Authors: | Jia, J, Borregaard, N, Lollike, K, Cygler, M. | | Deposit date: | 2001-10-26 | | Release date: | 2001-12-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Ca(2+)-loaded human grancalcin.
Acta Crystallogr.,Sect.D, 57, 2001
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6YTA
 | | CLK1 bound with imidazopyridazine (Cpd 1) | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6YTG
 | | CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Huber, K, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6QA4
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6Q2Q
 | | Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | Deposit date: | 2019-08-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
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6B66
 | | IMPase (AF2372) R92Q/K164E with 400 mM Glutamate | | Descriptor: | Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Goldstein, R.I, Roberts, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
To Be Published
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6Q35
 | | Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6B6J
 | | Structure of profilin Art v4 | | Descriptor: | Profilin-1 | | Authors: | Pye, S.E, Pote, S.S, Chruszcz, M. | | Deposit date: | 2017-10-02 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparative structural and thermal stability studies of Cuc m 2.0101, Art v 4.0101 and other allergenic profilins.
Mol.Immunol., 114, 2019
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3A3H
 | | CELLOTRIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 1.6 A RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M. | | Deposit date: | 1998-02-01 | | Release date: | 1999-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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6BB7
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one | | Descriptor: | 3-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-10-17 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridin-1-ium-2-olate
To Be Published
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6QBE
 | | Crystal structure of non-toxic HaNLP3 protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nep1-like protein, PHOSPHATE ION, ... | | Authors: | Lenarcic, T, Podobnik, M, Anderluh, G. | | Deposit date: | 2018-12-21 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for functional diversity among microbial Nep1-like proteins.
Plos Pathog., 15, 2019
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6BDG
 | | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution | | Descriptor: | RNA-binding protein Hfq | | Authors: | Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M. | | Deposit date: | 2017-10-23 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.964 Å) | | Cite: | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution
To Be Published
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6B72
 | | A novel HIV-1 Nef dimer interface induced by a single octyl-glucoside molecule | | Descriptor: | Protein Nef, octyl beta-D-glucopyranoside | | Authors: | Wu, M, Augelli-Szafran, C.E, Ptak, R.G, Smithgall, T.E. | | Deposit date: | 2017-10-03 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A single beta-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding.
PLoS ONE, 13, 2018
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5TGM
 | | Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ... | | Authors: | Melnikov, S, Mailliot, J, Yusupov, M. | | Deposit date: | 2016-09-28 | | Release date: | 2017-01-18 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
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5T4Q
 | | Autoinhibited E. coli ATP synthase state 3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | | Deposit date: | 2016-08-29 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (8.53 Å) | | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016
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6B7J
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7MZY
 | | Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986 | | Descriptor: | ACETATE ION, ALK tyrosine kinase receptor | | Authors: | Reshetnyak, A.V, Sowaileh, M, Miller, D.J, Rossi, P, Myasnikov, A.G, Kalodimos, C.G. | | Deposit date: | 2021-05-24 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism for the activation of the anaplastic lymphoma kinase receptor.
Nature, 600, 2021
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