6U2T
 
 | |
6U16
 | | Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate | | Descriptor: | 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2019-08-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
|
|
5OP2
 | | Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | Descriptor: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
5OOQ
 | | Structure of the Mtr4 Nop53 Complex | | Descriptor: | ATP-dependent RNA helicase DOB1, Ribosome biogenesis protein NOP53, SULFATE ION | | Authors: | Falk, S, Basquin, J, Conti, E. | | Deposit date: | 2017-08-08 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the interaction of the nuclear exosome helicase Mtr4 with the preribosomal protein Nop53.
RNA, 23, 2017
|
|
6U44
 | |
5OPB
 | | Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor | | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
4ODM
 | | Structure of SlyD from Thermus thermophilus in complex with S2-W23A peptide | | Descriptor: | 30S ribosomal protein S2, ACETATE ION, CHLORIDE ION, ... | | Authors: | Quistgaard, E.M, Low, C, Nordlund, P. | | Deposit date: | 2014-01-10 | | Release date: | 2015-01-14 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
|
|
8BM3
 | | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate | | Descriptor: | FARNESYL DIPHOSPHATE, Phosphatidylglycerophosphatase B | | Authors: | Delbrassine, F, El Ghachi, M, Lambion, A, Herman, R, Kerff, F. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate
To Be Published
|
|
2BKS
 | | crystal structure of Renin-PF00074777 complex | | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | Deposit date: | 2005-02-18 | | Release date: | 2006-04-05 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
|
|
8BLX
 | | Engineered Fructosyl Peptide Oxidase - X02A mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
|
|
5RHF
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754) | | Descriptor: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-05-16 | | Release date: | 2020-06-10 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
|
|
8BJY
 | | Engineered Fructosyl Peptide Oxidase - X02B mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
|
|
1SHH
 | | Slow form of Thrombin Bound with PPACK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, thrombin | | Authors: | Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E. | | Deposit date: | 2004-02-25 | | Release date: | 2004-06-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
|
|
8BLZ
 | | Engineered Fructosyl Peptide Oxidase - D02 mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (D02), GLYCEROL, ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
|
|
8BQ7
 | |
4OJK
 | | Structure of the cGMP Dependent Protein Kinase II and Rab11b Complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-11B, cGMP-dependent protein kinase 2 | | Authors: | Reger, A.S, Yang, M.P, Guo, E, Kim, C. | | Deposit date: | 2014-01-21 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.657 Å) | | Cite: | Crystal Structure of the cGMP-dependent Protein Kinase II Leucine Zipper and Rab11b Protein Complex Reveals Molecular Details of G-kinase-specific Interactions.
J.Biol.Chem., 289, 2014
|
|
8BMU
 | | Engineered Fructosyl Peptide Oxidase - X04 mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
|
|
1SL6
 | | Crystal Structure of a fragment of DC-SIGNR (containg the carbohydrate recognition domain and two repeats of the neck) complexed with Lewis-x. | | Descriptor: | C-type lectin DC-SIGNR, CALCIUM ION, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K. | | Deposit date: | 2004-03-05 | | Release date: | 2004-06-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for distinct ligand-binding and targeting properties of the receptors
DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
|
|
6UAB
 | |
1ID8
 | | NMR STRUCTURE OF GLUTAMATE MUTASE (B12-BINDING SUBUNIT) COMPLEXED WITH THE VITAMIN B12 NUCLEOTIDE | | Descriptor: | 2-HYDROXY-PROPYL-AMMONIUM, METHYLASPARTATE MUTASE S CHAIN, PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER | | Authors: | Tollinger, M, Eichmuller, C, Konrat, R, Huhta, M.S, Marsh, E.N.G, Krautler, B. | | Deposit date: | 2001-04-04 | | Release date: | 2001-06-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum traps the nucleotide moiety of coenzyme B(12).
J.Mol.Biol., 309, 2001
|
|
4OLR
 | | [Leu-5]-Enkephalin mutant - YVVFV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, [Leu-5]-Enkephalin mutant - YVVFV | | Authors: | Sangwan, S, Eisenberg, D, Sawaya, M.R, Do, T.D, Bowers, M.T, Lapointe, N.E, Teplow, D.B, Feinstein, S.C. | | Deposit date: | 2014-01-24 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Factors that drive Peptide assembly from native to amyloid structures: experimental and theoretical analysis of [leu-5]-enkephalin mutants.
J.Phys.Chem.B, 118, 2014
|
|
6UBN
 | | Crystal structure of D678E GoxA bound to glycine | | Descriptor: | MAGNESIUM ION, Quinoprotein glycine oxidase, SODIUM ION | | Authors: | Yukl, E.T. | | Deposit date: | 2019-09-12 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
J.Biol.Chem., 294, 2019
|
|
6UGS
 | | Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, Lot A | | Descriptor: | Infliximab (Remicade) Fab Heavy Chain, Infliximab (Remicade) Fab Light Chain | | Authors: | Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H. | | Deposit date: | 2019-09-26 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020
|
|
2QSB
 | |
2HID
 | |
