7B62
 
 | | Crystal structure of SARS-CoV-2 spike protein N-terminal domain in complex with biliverdin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pye, V.E, Rosa, A, Roustan, C, Cherepanov, P. | | Deposit date: | 2020-12-07 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
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8SD8
 | | Carbonic anhydrase II radiation damage RT 91-120 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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7NBG
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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6D9I
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8AHR
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense in holo form with PLP | | Descriptor: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y. | | Deposit date: | 2022-07-22 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
Molecules, 28, 2023
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8SG0
 | | Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD | | Descriptor: | GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ... | | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | Deposit date: | 2023-04-11 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
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6J3M
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution | | Descriptor: | CHLORIDE ION, PYROPHOSPHATE 2-, Phosphopantetheine adenylyltransferase, ... | | Authors: | Singh, P.K, Gupta, A, Sharma, S, Singh, T.P. | | Deposit date: | 2019-01-04 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution
To Be Published
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7QZQ
 | | Crystal structure of the kelch domain of human KBTBD12 | | Descriptor: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | | Authors: | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | | Deposit date: | 2022-01-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of the kelch domain of human KBTBD12
To Be Published
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7NBH
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7RM6
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8T41
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8ARM
 | | Crystal structure of LSSmScarlet2 | | Descriptor: | LSSmScarlet2, SULFATE ION | | Authors: | Samygina, V.R, Subach, O.M, Vlaskina, A.V, Subach, F.V. | | Deposit date: | 2022-08-17 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | LSSmScarlet2 and LSSmScarlet3, Chemically Stable Genetically Encoded Red Fluorescent Proteins with a Large Stokes' Shift.
Int J Mol Sci, 23, 2022
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7R4P
 | | Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2022-02-09 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
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7R63
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8SI0
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8AAU
 | | LIM Domain Kinase 1 (LIMK1) bound to LIMKi3 | | Descriptor: | 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ... | | Authors: | Mathea, S, Salah, E, Hanke, T, Knapp, S. | | Deposit date: | 2022-07-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
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8SHY
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7NB5
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7B01
 | | ADAMTS13-CUB12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein,Maltodextrin-binding protein,Maltodextrin-binding protein,ADAMTS13 CUB12,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Kim, H.J, Emsley, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of ADAMTS13 CUB domains reveals their role in global latency.
Sci Adv, 7, 2021
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7NBY
 | | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | 5-nitro-1,3-thiazole, CHLORIDE ION, Main Protease, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
To Be Published
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8AXC
 | | Crystal structure of mouse Ces2c | | Descriptor: | Acylcarnitine hydrolase, CHLORIDE ION, NICOTINAMIDE, ... | | Authors: | Eisner, H, Riegler-Berket, L, Rodriguez Gamez, C, Sagmeister, T, Chalhoub, G, Darnhofer, B, Panikkaveetil Jawaharlal, J, Birner-Gruenberger, R, Pavkov-Keller, T, Haemmerle, G, Schoiswohl, G, Oberer, M. | | Deposit date: | 2022-08-31 | | Release date: | 2022-11-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The Crystal Structure of Mouse Ces2c, a Potential Ortholog of Human CES2, Shows Structural Similarities in Substrate Regulation and Product Release to Human CES1.
Int J Mol Sci, 23, 2022
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8SJ2
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7NCF
 | | Crystal structure of HIPK2 in complex with MU135 (compound 21e) | | Descriptor: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine, Homeodomain-interacting protein kinase 2 | | Authors: | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
Eur.J.Med.Chem., 215, 2021
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6J98
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7RMA
 | | Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | | Descriptor: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | | Authors: | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-07-27 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs.
Acs Chem.Biol., 17, 2022
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