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8DMB
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BU of 8dmb by Molmil
Structure of Desulfovirgula thermocuniculi IsrB (DtIsrB) in complex with omega RNA and target DNA
Descriptor: MAGNESIUM ION, Ubiquitin-like protein SMT3,IsrB protein,monomeric superfolder Green Fluorescent Protein, non-target DNA, ...
Authors:Seiichi, H, Kappel, K, Zhang, F.
Deposit date:2022-07-08
Release date:2022-10-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the OMEGA nickase IsrB in complex with omega RNA and target DNA.
Nature, 610, 2022
7Q34
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BU of 7q34 by Molmil
Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye
Descriptor: 2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione, Helix-turn-helix transcriptional regulator, NICKEL (II) ION
Authors:Liutkus, M, Mejias, S.H, Barolo, C, Cortajarena, A.L.
Deposit date:2021-10-26
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Adv Funct Mater, 32, 2022
7Q4A
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BU of 7q4a by Molmil
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib
Descriptor: Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Swale, C, Bellini, V, Bowler, M.
Deposit date:2021-10-29
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
Descriptor: CADMIUM ION, Conus mucronatus, IODIDE ION
Authors:Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
7PX2
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BU of 7px2 by Molmil
Conotoxin Mu8.1 from Conus mucronatus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Conotoxin Mu8.1
Authors:Mueller, E, Hackney, C, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
7SII
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BU of 7sii by Molmil
Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53)
Descriptor: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP
Authors:Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X.
Deposit date:2021-10-14
Release date:2022-02-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Activation of STING by targeting a pocket in the transmembrane domain.
Nature, 604, 2022
7QF1
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BU of 7qf1 by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2.6264 heavy chain, CV2.6264 light chain, ...
Authors:Fernandez, I, Pederzoli, R, Rey, F.A.
Deposit date:2021-12-03
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
7QF0
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BU of 7qf0 by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.2325
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CV2.2325 heavy chain, ...
Authors:Fernandez, I, Pederzoli, R, Rey, F.A.
Deposit date:2021-12-03
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
7QEZ
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BU of 7qez by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the ultrapotent antibody CV2.1169 and CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, CR3022 light chain, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2021-12-03
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
7QCE
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BU of 7qce by Molmil
Crystal structure of an atypical PHD finger of VIN3
Descriptor: DI(HYDROXYETHYL)ETHER, VIN3 (Protein VERNALIZATION INSENSITIVE 3), ZINC ION
Authors:Franco-Echevarria, E, Fiedler, M, Dean, C, Bienz, M.
Deposit date:2021-11-23
Release date:2022-11-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plant vernalization proteins contain unusual PHD superdomains without histone H3 binding activity.
J.Biol.Chem., 298, 2022
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
3OQ9
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BU of 3oq9 by Molmil
Structure of the FAS/FADD death domain assembly
Descriptor: Protein FADD, Tumor necrosis factor receptor superfamily member 6
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2010-09-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.8 Å)
Cite:The Fas-FADD death domain complex structure reveals the basis of DISC assembly and disease mutations.
Nat.Struct.Mol.Biol., 17, 2010
1F3B
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BU of 1f3b by Molmil
CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GLUTATHIONE CONJUGATE OF BENZO[A]PYRENE EPOXIDE
Descriptor: 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, GLUTATHIONE S-TRANSFERASE YA CHAIN
Authors:Gu, Y, Singh, S.V, Ji, X.
Deposit date:2000-06-01
Release date:2000-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Residue R216 and catalytic efficiency of a murine class alpha glutathione S-transferase toward benzo[a]pyrene 7(R),8(S)-diol 9(S), 10(R)-epoxide.
Biochemistry, 39, 2000
1F3A
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BU of 1f3a by Molmil
CRYSTAL STRUCTURE OF MGSTA1-1 IN COMPLEX WITH GSH
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE YA CHAIN
Authors:Gu, Y, Singh, S.V, Ji, X.
Deposit date:2000-06-01
Release date:2000-10-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Residue R216 and catalytic efficiency of a murine class alpha glutathione S-transferase toward benzo[a]pyrene 7(R),8(S)-diol 9(S), 10(R)-epoxide.
Biochemistry, 39, 2000
1M4U
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BU of 1m4u by Molmil
Crystal structure of Bone Morphogenetic Protein-7 (BMP-7) in complex with the secreted antagonist Noggin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone Morphogenetic Protein-7, Noggin
Authors:Groppe, J, Greenwald, J, Wiater, E, Rodriguez-Leon, J, Economides, A.N, Kwiatkowski, W, Affolter, M, Vale, W.W, Izpisua-Belmonte, J.C, Choe, S.
Deposit date:2002-07-03
Release date:2002-12-18
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of BMP Signalling Inhibition by the Cystine Knot Protein Noggin
Nature, 420, 2002
5UAE
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BU of 5uae by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Trigonal Form)
Descriptor: CITRATE ANION, Putative integrase
Authors:Gupta, K, Sharp, R, Yuan, J.B, Van Duyne, G.D.
Deposit date:2016-12-19
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
5UDO
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BU of 5udo by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Tetragonal Form II)
Descriptor: A118 serine integrase
Authors:Gupta, K, Yuan, J.B, Sharp, R, Van Duyne, G.D.
Deposit date:2016-12-28
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
6BWV
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BU of 6bwv by Molmil
Crystal Structure of the 4-1BB/4-1BBL Complex
Descriptor: DI(HYDROXYETHYL)ETHER, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9
Authors:Oganesyan, V, Gilbreth, R.N, Baca, M.
Deposit date:2017-12-15
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human 4-1BB/4-1BBL complex.
J. Biol. Chem., 293, 2018
5U96
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BU of 5u96 by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua (Tetragonal Form)
Descriptor: Putative integrase
Authors:Gupta, K, Van Duyne, G.D, Sharp, R, Yuan, J.B.
Deposit date:2016-12-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
4TKY
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BU of 4tky by Molmil
The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface
Descriptor: ACETYL GROUP, AMINO GROUP, PRO-PHE-ALA-THR-CYS-ASP-SER, ...
Authors:Premkumar, L, Martin, J.L.
Deposit date:2014-05-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptide Inhibitors of the Escherichia coli DsbA Oxidative Machinery Essential for Bacterial Virulence.
J.Med.Chem., 58, 2015
1GLF
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BU of 1glf by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J.
Deposit date:1998-08-30
Release date:1998-10-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation.
Structure, 6, 1998
7BKP
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BU of 7bkp by Molmil
CryoEM structure of disease related M854K MDA5-dsRNA filament in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ...
Authors:Singh, R, Herrero del Valle, A, Yu, Q, Modis, Y.
Deposit date:2021-01-16
Release date:2021-11-17
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:MDA5 disease variant M854K prevents ATP-dependent structural discrimination of viral and cellular RNA.
Nat Commun, 12, 2021
6NT9
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BU of 6nt9 by Molmil
Cryo-EM structure of the complex between human TBK1 and chicken STING
Descriptor: Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of STING binding with and phosphorylation by TBK1.
Nature, 567, 2019
1LDM
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BU of 1ldm by Molmil
Refined crystal structure of dogfish M4 apo-lactate dehydrogenase
Descriptor: M4 LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
Authors:Griffith, J.P, Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987

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