5WBN
 
 | | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | | Deposit date: | 2017-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
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1DAZ
 | | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease | | Descriptor: | HIV-1 PROTEASE (RETROPEPSIN), N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | | Authors: | Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T. | | Deposit date: | 1999-11-01 | | Release date: | 2000-05-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
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1DBZ
 | | C153S MUTANT OF PEA FRUCTOSE-1,6-BISPHOSPHATASE | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE | | Authors: | Chiadmi, M, Navaza, A, Miginiac-Maslow, M, Jacquot, J.P, Cherfils, J. | | Deposit date: | 1999-11-03 | | Release date: | 1999-12-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Redox signalling in the chloroplast: structure of oxidized pea fructose-1,6-bisphosphate phosphatase.
EMBO J., 18, 1999
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1DF5
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1E21
 | | Ribonuclease 1 des1-7 Crystal Structure at 1.9A | | Descriptor: | RIBONUCLEASE 1 | | Authors: | Pous, J, Mallorqui-Fernandez, G, Peracaula, R, Terzyan, S.S, Futami, J, Tada, H, Yamada, H, Seno, M, De Llorens, R, Gomis-Ruth, F.X, Coll, M. | | Deposit date: | 2000-05-15 | | Release date: | 2001-05-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three-Dimensional Crystal Structure of Human Rnase 1Dn7 at 1.9A Resolution
Acta Crystallogr.,Sect.D, 57, 2001
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5WDF
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5WB9
 | | Crystal structure of CD4 binding site antibody N60P23 in complex with HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Gohain, N, Tolbert, W, Pazgier, M. | | Deposit date: | 2017-06-28 | | Release date: | 2018-05-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of Near-Pan-neutralizing Antibodies against HIV-1 by Deconvolution of Plasma Humoral Responses.
Cell, 173, 2018
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4WA8
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7LW3
 | | Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S. | | Deposit date: | 2021-02-27 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide.
Nat Commun, 12, 2021
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5WA8
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex | | Descriptor: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2017-06-26 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
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4UWF
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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5M2T
 | | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine at 1.03 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2016-10-13 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine at 1.03 A resolution
To Be Published
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5MGB
 | | Crystal Structure of Rat Peroxisomal Multifunctional enzyme Type-1 (RPMFE1) Complexed with Acetoacetyl-CoA and NAD | | Descriptor: | ACETOACETYL-COENZYME A, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kasaragod, P, Kiema, T.-R, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 2016-11-21 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural enzymology comparisons of multifunctional enzyme, type-1 (MFE1): the flexibility of its dehydrogenase part.
FEBS Open Bio, 7, 2017
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5MIW
 | | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Prokofev, I.I, Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2016-11-29 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A.
To Be Published
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5LQJ
 | | Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole | | Descriptor: | 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-08-17 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
To be published
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4UVS
 | | Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one | | Descriptor: | 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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4URT
 | | The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R. | | Deposit date: | 2014-07-02 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
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4W87
 | | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with a xyloglucan oligosaccharide | | Descriptor: | MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | | Deposit date: | 2014-08-22 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
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4UVY
 | | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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5M99
 | | Functional Characterization and Crystal Structure of Thermostable Amylase from Thermotoga petrophila, reveals High Thermostability and an Archaic form of Dimerization | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-amylase, ... | | Authors: | Hameed, U, Price, I, Mirza, O.A. | | Deposit date: | 2016-11-01 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Functional characterization and crystal structure of thermostable amylase from Thermotoga petrophila, reveals high thermostability and an unusual form of dimerization.
Biochim. Biophys. Acta, 1865, 2017
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5MMZ
 | | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | | Descriptor: | Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1 | | Authors: | Gimenez-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-Orbea, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M.L, Martinez-Cruz, L.A. | | Deposit date: | 2016-12-12 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
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4UVX
 | | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | | Descriptor: | 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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5MCQ
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1 | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-10 | | Release date: | 2017-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
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4UVU
 | | Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | | Descriptor: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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5LRM
 | | Structure of di-zinc MCR-1 in P41212 space group | | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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