4G3R
 
 | | Crystal Structure of Nitrosyl Cytochrome P450cam | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, NITRIC OXIDE, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-07-15 | | Release date: | 2012-08-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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9BCZ
 | | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-10 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
To be published
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8XB0
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Tong, S.L, Zhang, G.P. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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6UAV
 | | Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) | | Descriptor: | GLYCEROL, Glyco_hydro_cc domain-containing protein, SULFATE ION | | Authors: | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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9BOL
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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4B0B
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline | | Descriptor: | 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H. | | Deposit date: | 2012-07-01 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
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6UEG
 | | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | | Descriptor: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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6U1K
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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6TVA
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with avian receptor analogue, 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Haemagglutinin HA1, Haemagglutinin HA2, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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4FYW
 | | E. coli Aspartate Transcarbamoylase complexed with CTP | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Cockrell, G.M, Kantrowitz, E.R. | | Deposit date: | 2012-07-05 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
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6RNZ
 | | Crystal structure of the N-terminal HTH DNA-binding domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | | Descriptor: | GLYCEROL, HTH-type transcriptional regulator DdrOC | | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, Brandelet, G, De Groot, A, Blanchard, L. | | Deposit date: | 2019-05-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
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6ORH
 | | Crystal structure of SpGH29 | | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-04-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
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3GXA
 | | Crystal structure of GNA1946 | | Descriptor: | METHIONINE, Outer membrane lipoprotein GNA1946, SULFATE ION | | Authors: | Yang, X, Shen, Y. | | Deposit date: | 2009-04-02 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
J.Struct.Biol., 168, 2009
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4G42
 | | Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D | | Descriptor: | 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2 | | Authors: | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | | Deposit date: | 2012-07-16 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
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6TZQ
 | | A DNA G-quadruplex/i-motif hybrid | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*CP*AP*A)-3') | | Authors: | Chu, B, Paukstelis, P.J. | | Deposit date: | 2019-08-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
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6RRP
 | | Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper and phenylthiourea | | Descriptor: | COPPER (II) ION, N-PHENYLTHIOUREA, PvdP | | Authors: | Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J. | | Deposit date: | 2019-05-20 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
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6UHN
 | | Crystal Structure of C148 mGFP-cDNA-1 | | Descriptor: | C148 mGFP-cDNA-1, UNKNOWN LIGAND | | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | | Deposit date: | 2019-09-27 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
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2QZK
 | | Crystal structure of human Beta Secretase complexed with I21 | | Descriptor: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | | Authors: | Munshi, S. | | Deposit date: | 2007-08-16 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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4B1J
 | | Structure of human PARG catalytic domain in complex with ADP-HPD | | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ... | | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | | Deposit date: | 2012-07-10 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
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6TVS
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-10 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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4B1H
 | | Structure of human PARG catalytic domain in complex with ADP-ribose | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | | Deposit date: | 2012-07-10 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
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6RTS
 | | Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with NAD+ | | Descriptor: | ACETATE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I. | | Deposit date: | 2019-05-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
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6U1C
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6RQZ
 | | GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine | | Descriptor: | (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2019-05-16 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6OGN
 | | Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe | | Descriptor: | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ... | | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-03 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
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