4P5J
 
 | | Crystal structure of the tRNA-like structure from Turnip Yellow Mosaic Virus (TYMV), a tRNA mimicking RNA | | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, SPERMINE, ... | | Authors: | Colussi, T.M, Costantino, D.A, Hammond, J.A, Ruehle, G.M, Nix, J.C, Kieft, J.S. | | Deposit date: | 2014-03-17 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9912 Å) | | Cite: | The structural basis of transfer RNA mimicry and conformational plasticity by a viral RNA.
Nature, 511, 2014
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6SG4
 | | Structure of CDK2/cyclin A M246Q, S247EN | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2019-08-02 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
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8CZD
 | | Cryo-EM structure of BCL10 R58Q filament | | Descriptor: | B-cell lymphoma/leukemia 10 | | Authors: | David, L, Wu, H. | | Deposit date: | 2022-05-24 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
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3HU9
 | | Nitrosobenzene in complex with T4 lysozyme L99A/M102Q | | Descriptor: | Lysozyme, NITROSOBENZENE, PHOSPHATE ION | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-13 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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8AF7
 | | Room temperature SSX crystal structure of CTX-M-14 (10K dataset) | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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8AF6
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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3HSQ
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3HT9
 | | 2-methoxyphenol in complex with T4 lysozyme L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, Guaiacol, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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8AF4
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (40000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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8AF8
 | | Room temperature SSX crystal structure of CTX-M-14 (5K dataset) | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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8APZ
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8AQ0
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8AF5
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (10000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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3I3X
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4PGT
 | | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | | Authors: | Ji, X, Blaszczyk, J. | | Deposit date: | 1999-03-22 | | Release date: | 1999-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
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8D5K
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8D5E
 | | The complex of Gtf2b Peptide TGAASFDEF Presented by H2-Dd | | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | | Authors: | Custodio, J.M.F, Baker, B.M. | | Deposit date: | 2022-06-04 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural and physical features that distinguish tumor-controlling from inactive cancer neoepitopes.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5B59
 | | Hen egg-white lysozyme modified with a keto-ABNO. | | Descriptor: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal, Lysozyme C | | Authors: | Sasaki, D, Seki, Y, Sohma, Y, Oisaki, K, Kanai, M. | | Deposit date: | 2016-04-28 | | Release date: | 2016-09-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins
J.Am.Chem.Soc., 138, 2016
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4PEP
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3HUQ
 | | Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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8AQ5
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-08-11 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8AQ7
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | | Descriptor: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ostermann, N. | | Deposit date: | 2022-08-11 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8D5F
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8AQK
 | | Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2258 | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, SULFATE ION, Serine protease NS3, ... | | Authors: | Huber, S, Steinmetzer, T. | | Deposit date: | 2022-08-12 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
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5EE7
 | | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ... | | Authors: | Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H. | | Deposit date: | 2015-10-22 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
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