4C9W
 
 | | Crystal structure of NUDT1 (MTH1) with R-crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
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6NMJ
 | | Crystal Structure of Rat Ric-8A G alpha binding domain, "Paratone-N Immersed" | | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans) | | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A.
Structure, 27, 2019
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4ALS
 | | X-Ray photoreduction of Polysaccharide monooxygenase CBM33 | | Descriptor: | CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER | | Authors: | Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
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4ALT
 | | X-Ray photoreduction of Polysaccharide monooxygenase CBM33 | | Descriptor: | CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER | | Authors: | Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
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6NMG
 | | Crystal Structure of Rat Ric-8A G alpha binding domain | | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans), SULFATE ION | | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A.
Structure, 27, 2019
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5UX4
 | | Crystal Structure of Rat Cathepsin D with (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro- 7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3- c]pyridine-5,4'-[1,3]oxazol]-2'-amine | | Descriptor: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sickmier, A. | | Deposit date: | 2017-02-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
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4ALR
 | | X-Ray photoreduction of Polysaccharide monooxygenase CBM33 | | Descriptor: | CHITIN BINDING PROTEIN, COPPER (II) ION, DI(HYDROXYETHYL)ETHER | | Authors: | Gudmundsson, M, Wu, M, Ishida, T, Momeni, M.H, Vaaje-Kolstad, G, Eijsink, V, Sandgren, M. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and Electronic Snapshots During the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-Ray Photo-Reduction.
J.Biol.Chem., 289, 2014
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6TRK
 | | Phl p 6 fold stabilized mutant - S46Y | | Descriptor: | Pollen allergen Phl p 6, ZINC ION | | Authors: | Soh, W.T, Brandstetter, H. | | Deposit date: | 2019-12-19 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
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6I4M
 | | Crystal Structure of Plasmodium berghei actin II in the Mg-ADP state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-2, CALCIUM ION, ... | | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | Deposit date: | 2018-11-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.873 Å) | | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
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8GUS
 | | Cryo-EM structure of HU-CB2-G protein complex | | Descriptor: | Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
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8GUQ
 | | Cryo-EM structure of CB2-G protein complex | | Descriptor: | Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
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6QX6
 | | Structure of gtPebB-dihydrobiliverdin complex | | Descriptor: | 15,16-DIHYDROBILIVERDIN, Ferredoxin bilin reductase plastid, PENTAETHYLENE GLYCOL, ... | | Authors: | Sommerkamp, J.A, Hofmann, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-08-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
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1CIG
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6QWQ
 | | Structure of gtPebB | | Descriptor: | Ferredoxin bilin reductase plastid, SULFATE ION | | Authors: | Sommerkamp, J.A, Hofmann, E. | | Deposit date: | 2019-03-06 | | Release date: | 2019-08-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the first eukaryotic bilin reductaseGtPEBB reveals a flipped binding mode of dihydrobiliverdin.
J.Biol.Chem., 294, 2019
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8GUT
 | | Cryo-EM structure of LEI-CB2-Gi complex | | Descriptor: | 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Z.J, Hua, T, Li, X.T, Chang, H, Wu, L.J. | | Deposit date: | 2022-09-13 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
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1D4H
 | | HIV-1 Protease in complex with the inhibitor BEA435 | | Descriptor: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE | | Authors: | Unge, T. | | Deposit date: | 1999-10-04 | | Release date: | 2002-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
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6RAZ
 | | D. melanogaster CMG-DNA, State 2B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-18 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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8GUR
 | | Cryo-EM structure of CP-CB2-G protein complex | | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
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6R2W
 | | Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2019-03-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
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1EC1
 | | HIV-1 protease in complex with the inhibitor BEA409 | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Authors: | Unge, T. | | Deposit date: | 2000-01-25 | | Release date: | 2002-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
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6R7A
 | | Ligand complex of RORg LBD | | Descriptor: | LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, SODIUM ION, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2019-03-28 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.
Acs Med.Chem.Lett., 10, 2019
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6RAW
 | | D. melanogaster CMG-DNA, State 1A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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6RAY
 | | D. melanogaster CMG-DNA, State 2A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.28 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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1EBW
 | | HIV-1 protease in complex with the inhibitor BEA322 | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE] | | Authors: | Unge, T. | | Deposit date: | 2000-01-25 | | Release date: | 2002-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
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8GBT
 | | Time-resolve SFX structure of a photoproduct of carbon monoxide complex of bovine cytochrome c oxidase | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Ishigami, I, Yeh, S.-R, Rousseau, D.L. | | Deposit date: | 2023-02-28 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Detection of a Geminate Photoproduct of Bovine Cytochrome c Oxidase by Time-Resolved Serial Femtosecond Crystallography.
J.Am.Chem.Soc., 145, 2023
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