5X3I
 
 | | Kfla1895 D451A mutant | | Descriptor: | GLYCEROL, Glycoside hydrolase family 31, SULFATE ION | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Glycoside hydrolase mutant
To Be Published
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1KWY
 | | Rat mannose protein A complexed with man-a13-man. | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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6XWI
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6XBT
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA | | Descriptor: | COBALT (II) ION, COENZYME A, Methylmalonyl-CoA epimerase, ... | | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA
To Be Published
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5I8D
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5XAM
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6OQ4
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1KWT
 | | Rat mannose binding protein A (native, MPD) | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A | | Authors: | Ng, K.K.S, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1KX8
 | | Antennal Chemosensory Protein A6 from Mamestra brassicae, tetragonal form | | Descriptor: | CHEMOSENSORY PROTEIN A6 | | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Structure and Ligand Binding Study of a Chemosensory Protein
J.Biol.Chem., 277, 2002
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6OBS
 | | PP1 Y134K | | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | | Deposit date: | 2019-03-21 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7N8C
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-06-14 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | Authors: | di Fabio, R, Petrocchi, A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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1KEA
 | | STRUCTURE OF A THERMOSTABLE THYMINE-DNA GLYCOSYLASE | | Descriptor: | ACETATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | | Authors: | Mol, C.D, Arvai, A.S, Begley, T.J, Cunningham, R.P, Tainer, J.A. | | Deposit date: | 2001-11-14 | | Release date: | 2002-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and activity of a thermostable thymine-DNA glycosylase: evidence for base twisting to remove mismatched normal DNA bases.
J.Mol.Biol., 315, 2002
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5IL7
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5ILF
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 4, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2016-03-04 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
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5IKW
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
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6XQO
 | | Structure of the human MICU1-MICU2 heterodimer, calcium bound, in association with a lipid nanodisc | | Descriptor: | CALCIUM ION, Calcium uptake protein 1, mitochondrial, ... | | Authors: | Long, S.B, Wang, C, Baradaran, R, Jacewicz, A, Delgado, B. | | Deposit date: | 2020-07-09 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures reveal gatekeeping of the mitochondrial Ca 2+ uniporter by MICU1-MICU2.
Elife, 9, 2020
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6OL2
 | | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening | | Descriptor: | ACETATE ION, GLYCEROL, N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide, ... | | Authors: | Chlebowicz, J, Akella, R, Sekulski, K, Humphreys, J.M, Durbacz, M.Z, He, H, Rodan, A, Posner, B, Goldsmith, E.J. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high throughput screening
To Be Published
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6OXL
 | | CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 (mu E302K) BOUND TO NECAP IN THE PRESENCE OF SS DNA | | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Partlow, E.A, Baker, R.W, Beacham, G.M, Chappie, J, Leschziner, A.E, Hollopeter, G. | | Deposit date: | 2019-05-13 | | Release date: | 2019-09-11 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A structural mechanism for phosphorylation-dependent inactivation of the AP2 complex.
Elife, 8, 2019
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1KOI
 | | CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH NITRIC OXIDE AT 1.08 A RESOLUTION | | Descriptor: | NITRIC OXIDE, NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Roberts, S.A, Weichsel, A, Qiu, Y, Shelnutt, J.A, Walker, F.A, Montfort, W.R. | | Deposit date: | 2001-05-03 | | Release date: | 2002-01-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Ligand-induced heme ruffling and bent no geometry in ultra-high-resolution structures of nitrophorin 4.
Biochemistry, 40, 2001
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6OTD
 | | Globin sensor domain of AfGcHK in monomeric form, with imidazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Globin-coupled histidine kinase, IMIDAZOLE, ... | | Authors: | Skalova, T, Dohnalek, J, Kolenko, P, Stranava, M, Lengalova, A, Martinkova, M. | | Deposit date: | 2019-05-03 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Disruption of the dimerization interface of the sensing domain in the dimeric heme-based oxygen sensorAfGcHK abolishes bacterial signal transduction.
J.Biol.Chem., 295, 2020
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7N7H
 | | X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ... | | Authors: | Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G. | | Deposit date: | 2021-06-10 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
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6XZE
 | | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | | Deposit date: | 2020-02-04 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
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6O7R
 | | Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Rutledge, H.L, Williamson, L.M, Tezcan, F.A. | | Deposit date: | 2019-03-08 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
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7MWY
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