5CNC
 
 | | Ultrafast dynamics in myoglobin: 0.6 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
|
|
6V3K
 | | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | | Authors: | Lyumkis, D, Jozwik, I.K, Passos, D. | | Deposit date: | 2019-11-25 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
|
|
6SAZ
 | | Cleaved human fetuin-b in complex with crayfish astacin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | | Authors: | Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W. | | Deposit date: | 2019-07-18 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases.
Sci Rep, 9, 2019
|
|
7RKB
 | | Crystal Structure of Putative Pterin Binding Protein (PruR) from Klebsiella pneumoniae in Complex with Neopterin | | Descriptor: | CHLORIDE ION, L-NEOPTERIN, Pterin Binding Protein, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-22 | | Release date: | 2022-08-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Putative Pterin Binding Protein (PruR) from Klebsiella pneumoniae in Complex with Neopterin.
To Be Published
|
|
1GU0
 | | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | | Deposit date: | 2002-01-22 | | Release date: | 2002-04-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor
Structure, 10, 2002
|
|
1N9S
 | | Crystal structure of yeast SmF in spacegroup P43212 | | Descriptor: | Small nuclear ribonucleoprotein F | | Authors: | Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C. | | Deposit date: | 2002-11-26 | | Release date: | 2002-12-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Homomeric ring assemblies of eukaryotic Sm proteins have affinity for
both RNA and DNA: Crystal structure of an oligomeric complex of yeast
SmF
J.Biol.Chem., 278, 2003
|
|
8UQ7
 | | Alzheimer's disease PHF complexed with PET ligand MK-6240 | | Descriptor: | 6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine, Microtubule-associated protein tau | | Authors: | Kunach, P, Shahmoradian, S.H, Diamond, M.I, Rosa-Neto, P. | | Deposit date: | 2023-10-23 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | Alzheimer's disease PHF complexed with PET ligand MK-6240
Biorxiv, 2023
|
|
6AU9
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid | | Descriptor: | (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2017-08-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
|
|
4YEN
 | | Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
1R09
 | | HUMAN RHINOVIRUS 14 COMPLEXED WITH ANTIVIRAL COMPOUND R 61837 | | Descriptor: | 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE, DIMETHYL SULFOXIDE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), ... | | Authors: | Chapman, M.S, Minor, I, Rossmann, M.G, Diana, G.D, Andries, K. | | Deposit date: | 1990-05-04 | | Release date: | 1991-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Human rhinovirus 14 complexed with antiviral compound R 61837.
J.Mol.Biol., 217, 1991
|
|
1NAQ
 | | Crystal structure of CUTA1 from E.coli at 1.7 A resolution | | Descriptor: | MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA | | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-11-28 | | Release date: | 2003-11-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction.
J.Biol.Chem., 278, 2003
|
|
1YUC
 | | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP | | Descriptor: | GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ... | | Authors: | Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R. | | Deposit date: | 2005-02-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
|
|
7XFP
 | |
6AP1
 | | Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p | | Descriptor: | ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2017-08-16 | | Release date: | 2017-12-06 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
|
|
1F9L
 | |
1YTT
 | | YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K | | Descriptor: | MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION | | Authors: | Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T. | | Deposit date: | 1995-11-09 | | Release date: | 1996-06-10 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of protein solvation and discrete disorder with experimental crystallographic phases.
Science, 271, 1996
|
|
2MHC
 | | NMR structure of the catalytic domain of the large serine resolvase TnpX | | Descriptor: | TnpX | | Authors: | Headey, S.J, Sivakumaran, A, Adams, V, Rodgers, A.J.W, Rood, J.I, Scanlon, M.J, Wilce, M.C.J. | | Deposit date: | 2013-11-20 | | Release date: | 2014-11-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and DNA Binding of the Catalytic of the Large Serine Resolvase Tnpx
To be Published
|
|
6SG2
 | | FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state | | Descriptor: | HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ... | | Authors: | Galle, L.M, Span, I. | | Deposit date: | 2019-08-02 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
5T0D
 | | Crystal structure of H6 hemagglutinin G225D mutant from Taiwan (2013) H6N1 influenza virus in complex with 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ... | | Authors: | Wilson, I.A, Tzarum, N, Zhu, X. | | Deposit date: | 2016-08-15 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.864 Å) | | Cite: | A single mutation in Taiwanese H6N1 influenza hemagglutinin switches binding to human-type receptors.
EMBO Mol Med, 9, 2017
|
|
4IJO
 | | Unraveling hidden allosteric regulatory sites in structurally homologues metalloproteases | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Udi, Y, Fragai, M, Grossman, M, Mitternacht, S, Arad-Yellin, R, Calderone, V, Melikian, M, Toccafondi, M, Berezovsky, I.N, Luchinat, C, Sagi, I. | | Deposit date: | 2012-12-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
|
|
1NJ9
 | | Cocaine hydrolytic antibody 15A10 | | Descriptor: | SODIUM ION, immunoglobulin heavy chain, immunoglobulin variable chain | | Authors: | Larsen, N.A, de Prada, P, Deng, S.X, Zhu, X, Landry, D.W, Wilson, I.A. | | Deposit date: | 2002-12-30 | | Release date: | 2004-02-17 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystallographic and biochemical analysis of cocaine-degrading antibody 15A10.
Biochemistry, 43, 2004
|
|
6SHW
 | | N-terminal domain of Drosophila X Virus VP3 | | Descriptor: | SULFATE ION, Structural polyprotein | | Authors: | Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N. | | Deposit date: | 2019-08-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein.
J.Virol., 2020
|
|
5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
|
|
6UYM
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | | Deposit date: | 2019-11-13 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.848 Å) | | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
|
|
7R1N
 | | Crystal structure of the Tetrameric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H | | Descriptor: | Beta-1,3-glucanase bglH, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
|
|
