6BZS
 
 | | Human ABCC6 NBD1 in Apo state | | Descriptor: | Multidrug resistance-associated protein 6, SULFATE ION | | Authors: | Zheng, A, Thibodeau, P.H. | | Deposit date: | 2017-12-26 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.29990458 Å) | | Cite: | Structural analysis reveals pathomechanisms associated with pseudoxanthoma elasticum-causing mutations in the ABCC6 transporter.
J. Biol. Chem., 293, 2018
|
|
6ZPC
 | | Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DatZ, LITHIUM ION, ... | | Authors: | Czernecki, D, Legrand, P, Delarue, M. | | Deposit date: | 2020-07-08 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.2683593 Å) | | Cite: | How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
|
|
4LAY
 | | Crystal Structure Analysis of FKBP52, Complex with I63 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
|
|
4O8N
 | | Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, in the apoprotein form | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase, CALCIUM ION, ... | | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | | Deposit date: | 2013-12-28 | | Release date: | 2014-07-02 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.6476 Å) | | Cite: | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus.
Appl.Environ.Microbiol., 80, 2014
|
|
6H45
 | | crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Johannsson, S, Neumann, P, Ficner, R. | | Deposit date: | 2018-07-20 | | Release date: | 2018-09-05 | | Last modified: | 2023-03-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1.
Biomolecules, 8, 2018
|
|
6ZPB
 | | Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and two catalytic Co2+ ions | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, COBALT (II) ION, DatZ | | Authors: | Czernecki, D, Legrand, P, Delarue, M. | | Deposit date: | 2020-07-08 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.72097385 Å) | | Cite: | How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.
Nat Commun, 12, 2021
|
|
3K3I
 | | p38alpha bound to novel DGF-out compound PF-00215955 | | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | Authors: | Kazmirski, S.L, DiNitto, J.P. | | Deposit date: | 2009-10-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
|
|
6H46
 | | Human KRAS in complex with darpin K13 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | | Deposit date: | 2018-07-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
|
|
6VH9
 | | FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, apo form | | Descriptor: | Esterase family protein, SODIUM ION | | Authors: | Fellner, M, Jamieson, S.A, Brewster, J.L, Mace, P.D. | | Deposit date: | 2020-01-09 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
|
|
1DOK
 | | MONOCYTE CHEMOATTRACTANT PROTEIN 1, P-FORM | | Descriptor: | MONOCYTE CHEMOATTRACTANT PROTEIN 1, SULFATE ION | | Authors: | Lubkowski, J, Bujacz, G, Boque, L, Wlodawer, A, Domaille, P.J, Handel, T.M. | | Deposit date: | 1996-11-27 | | Release date: | 1997-03-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of MCP-1 in two crystal forms provides a rare example of variable quaternary interactions.
Nat.Struct.Biol., 4, 1997
|
|
6H5C
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1 | | Descriptor: | (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 9, 2019
|
|
6ZZ5
 | | Structure of soluble SmhB of the tripartite alpha-pore forming toxin, Smh, from Serratia marcescens. | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, SmhB | | Authors: | Churchill-Angus, A.M, Baker, P.J. | | Deposit date: | 2020-08-03 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Characterisation of a tripartite alpha-pore forming toxin from Serratia marcescens
Sci Rep, 11, 2021
|
|
1LZQ
 | | Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2 | | Descriptor: | BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J. | | Deposit date: | 2002-06-11 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study
J.Med.Chem., 46, 2003
|
|
4M6G
 | | Structure of the Mycobacterium tuberculosis peptidoglycan amidase Rv3717 in complex with L-Alanine-iso-D-Glutamine reaction product | | Descriptor: | ALANINE, D-alpha-glutamine, Peptidoglycan Amidase Rv3717, ... | | Authors: | Prigozhin, D.M, Mavrici, D, Huizar, J.P, Vansell, H.J, Alber, T, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2013-08-09 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling.
J.Biol.Chem., 288, 2013
|
|
7OL4
 | |
3K3D
 | |
1M1O
 | | Crystal structure of biosynthetic thiolase, C89A mutant, complexed with acetoacetyl-CoA | | Descriptor: | ACETOACETYL-COENZYME A, Acetyl-CoA acetyltransferase, SULFATE ION | | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | | Deposit date: | 2002-06-20 | | Release date: | 2002-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
|
|
7A26
 | |
4M1R
 | | Structure of a novel cellulase 5 from a sugarcane soil metagenomic library | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellulase 5 | | Authors: | Paiva, J.H, Alvarez, T.M, Cairo, J.P, Paixao, D.A, Almeida, R.A, Tonoli, C.C.C, Ruiz, D.M, Ruller, R, Santos, C.R, Squina, F.M, Murakami, M.T. | | Deposit date: | 2013-08-03 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and function of a novel cellulase 5 from sugarcane soil metagenome.
Plos One, 8, 2013
|
|
6H0D
 | | Metal soaked Flv1 flavodiiron core from Synechocystis sp. PCC6803 | | Descriptor: | CHLORIDE ION, Putative diflavin flavoprotein A 3, SULFATE ION | | Authors: | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | | Deposit date: | 2018-07-08 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803.
J. Struct. Biol., 205, 2019
|
|
4M3F
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
|
|
4M3O
 | | Crystal structure of K.lactis Rtr1 NTD | | Descriptor: | KLLA0F12672p, ZINC ION | | Authors: | Hsu, P.L, Yang, W, Zheng, N, Varani, G. | | Deposit date: | 2013-08-06 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rtr1 Is a Dual Specificity Phosphatase That Dephosphorylates Tyr1 and Ser5 on the RNA Polymerase II CTD.
J.Mol.Biol., 426, 2014
|
|
1E08
 | | Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking | | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | Authors: | Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F. | | Deposit date: | 2000-03-13 | | Release date: | 2000-08-25 | | Last modified: | 2019-11-27 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
J.Biol.Chem., 275, 2000
|
|
3KAI
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
|
|
6H5J
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | | Descriptor: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
|
|
