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8JBL
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BU of 8jbl by Molmil
Crystal structure of Na+,K+-ATPase in the E1.Mg2+ state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C.
Deposit date:2023-05-09
Release date:2023-08-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
8CAR
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BU of 8car by Molmil
Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL
Descriptor: NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase
Authors:Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
7O93
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BU of 7o93 by Molmil
diMn-sulerythrin
Descriptor: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, HYDROGEN PEROXIDE, ...
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2021-04-15
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
7O8D
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BU of 7o8d by Molmil
diFe-sulerythrin oxidised by H2O2
Descriptor: CHLORIDE ION, FE (III) ION, Sulerythrin
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2021-04-15
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
7O9D
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BU of 7o9d by Molmil
peroxide-bound diCo-sulerythrin
Descriptor: CHLORIDE ION, COBALT (II) ION, HYDROGEN PEROXIDE, ...
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2021-04-15
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
7O9E
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BU of 7o9e by Molmil
diNi-sulerythrin
Descriptor: CHLORIDE ION, NICKEL (II) ION, Sulerythrin
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2021-04-15
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
6OJH
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BU of 6ojh by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
Descriptor: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine, ACETATE ION, Biotin carboxylase, ...
Authors:Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
Deposit date:2019-04-11
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
To Be Published
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
6OI1
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BU of 6oi1 by Molmil
Crystal structure of human WDR5 in complex with monomethyl L-arginine
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6O63
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BU of 6o63 by Molmil
Crystal Structure of Arabidopsis thaliana Spermidine Synthase isoform 1 (AtSPDS1)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Sekula, B, Dauter, Z.
Deposit date:2019-03-05
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spermidine Synthase (SPDS) Undergoes Concerted Structural Rearrangements Upon Ligand Binding - A Case Study of the Two SPDS Isoforms FromArabidopsis thaliana.
Front Plant Sci, 10, 2019
8C76
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BU of 8c76 by Molmil
Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
Deposit date:2023-01-12
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
7Q00
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BU of 7q00 by Molmil
Crystal structure of serine hydroxymethyltransferase, isoform 4 from Arabidopsis thaliana (SHM4)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Serine hydroxymethyltransferase 4
Authors:Ruszkowski, M, Sekula, B.
Deposit date:2021-10-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Arabidopsis thaliana serine hydroxymethyltransferases: functions, structures, and perspectives.
Plant Physiol Biochem., 187, 2022
5YSL
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BU of 5ysl by Molmil
Crystal structure of antibody 1H1 Fab
Descriptor: 1H1 heavy chain, 1H1 light chain
Authors:Hu, X.L, Yang, F.L.
Deposit date:2017-11-14
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two classes of protective antibodies against Pseudorabies virus variant glycoprotein B: Implications for vaccine design.
PLoS Pathog., 13, 2017
8C36
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BU of 8c36 by Molmil
Light-adapted 2.0 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
6XVI
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BU of 6xvi by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_A12
Descriptor: Outer membrane protein,Outer membrane protein,Mb-Nb207-c7HopQ_A12
Authors:Steyaert, J, Uchanski, T, Fischer, B.
Deposit date:2020-01-22
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XWS
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BU of 6xws by Molmil
Crystal Structure of Drosophila CAL1 1-160 bound to CENP-A/H4
Descriptor: Chromosome alignment defect 1,Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4
Authors:Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
Deposit date:2020-01-24
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.36 Å)
Cite:Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
6X86
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BU of 6x86 by Molmil
Crystal Structure of TNFalpha with indolinone compound 11
Descriptor: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
8C35
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BU of 8c35 by Molmil
Dark state 2.1 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C32
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BU of 8c32 by Molmil
Dark state 2.2 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic condition
Descriptor: 5'-DEOXYADENOSINE, BROMIDE ION, COBALAMIN, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C33
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BU of 8c33 by Molmil
Anaerobic light exposed 2.25 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: BROMIDE ION, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8GM7
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BU of 8gm7 by Molmil
Structure of apurinic/apyrimidinic DNA Lyase TK0353 from Thermococcus kodakarensis (Native Crystal Form)
Descriptor: GLYCEROL, SULFATE ION, TK0353
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-03-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8GM6
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BU of 8gm6 by Molmil
Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Selenomethionine)
Descriptor: GLYCEROL, SULFATE ION, TK0353
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-03-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8C37
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BU of 8c37 by Molmil
An intermediate light exposed 2.15 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C31
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BU of 8c31 by Molmil
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, BROMIDE ION, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022

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