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6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTM
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BU of 6utm by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-12
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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BU of 7b2e by Molmil
quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
6UTO
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BU of 6uto by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
Descriptor: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6H
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BU of 6t6h by Molmil
Apo structure of the Bottromycin epimerase BotH
Descriptor: BotH, SODIUM ION, SULFATE ION
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-18
Release date:2020-07-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Z
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BU of 6t6z by Molmil
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Y
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BU of 6t6y by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
Descriptor: BotH, Bottromycin A2
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
5V74
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BU of 5v74 by Molmil
Structure of the intact Haliangium ochraceum microcompartment shell
Descriptor: Ethanolamine utilization protein EutN/carboxysome structural protein Ccml, Microcompartments protein
Authors:Sutter, M, Kerfeld, C.A.
Deposit date:2017-03-17
Release date:2017-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.51015472 Å)
Cite:Assembly principles and structure of a 6.5-MDa bacterial microcompartment shell.
Science, 356, 2017
6RTE
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BU of 6rte by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
Descriptor: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C
Authors:Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
Deposit date:2019-05-23
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7DZ5
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BU of 7dz5 by Molmil
Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii
Descriptor: D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ...
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7OUI
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BU of 7oui by Molmil
Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted)
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Graca, A.T, Hall, M, Persson, K, Schroder, W.P.
Deposit date:2021-06-11
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-04
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
Descriptor: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
8R15
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BU of 8r15 by Molmil
Crystal structure of Fusarium oxysporum NADase I
Descriptor: GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-11-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
7SBG
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BU of 7sbg by Molmil
Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fab/IgE Heavy chain, Fab/IgE Light chain, ...
Authors:Rodriguez-Romero, A, Garcia-Ramirez, B.
Deposit date:2021-09-24
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
7SD2
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BU of 7sd2 by Molmil
Murine Fab that recognizes Hev b 8 (profilin for Hevea brasiliensis)
Descriptor: Heavy Chain Antibody IgE/Fab anti-profilin Hev b 8, Light Chain Antibody IgE/Fab anti-profilin Hev b 8
Authors:Rodriguez-Romero, A, Garcia-Ramirez, B.
Deposit date:2021-09-29
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
8TJG
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BU of 8tjg by Molmil
Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, ZINC ION
Authors:Warren, G, Shuman, S.
Deposit date:2023-07-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
To Be Published
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
Descriptor: SULFATE ION, Secreted in xylem Six8
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
Descriptor: D(-)-TARTARIC ACID, Secreted in xylem Six6
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024

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