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6OIM
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BU of 6oim by Molmil
Crystal Structure of human KRAS G12C covalently bound to AMG 510
Descriptor: AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-04-09
Release date:2019-11-06
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity.
Nature, 575, 2019
4ORF
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BU of 4orf by Molmil
cAMP-binding acyltransferase from Mycobacterium smegmatis, mutant R95K
Descriptor: Acetyltransferase Pat, CHLORIDE ION
Authors:Podobnik, M, Rebolj, K, Visweswariah, S.S.
Deposit date:2014-02-11
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allostery and Conformational Dynamics in cAMP-binding Acyltransferases.
J.Biol.Chem., 289, 2014
2O4K
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BU of 2o4k by Molmil
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ...
Authors:Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
7LSE
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BU of 7lse by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Far Eastern Subtype)
Descriptor: Envelope protein E, GLYCEROL, T025 Fab Heavy Chain, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7LSF
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BU of 7lsf by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Western Subtype)
Descriptor: Envelope protein E, GLYCEROL, SODIUM ION, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
5UMD
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BU of 5umd by Molmil
Structure of the Plasmodium falciparum 80S ribosome bound to the antimalarial drug mefloquine
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Wong, W, Bai, X.-C, Brown, A, Scheres, S, Baum, J.
Deposit date:2017-01-27
Release date:2017-03-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis.
Nat Microbiol, 2, 2017
5US7
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BU of 5us7 by Molmil
Human bocavirus 3
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2017-02-13
Release date:2017-03-29
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
7U0M
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BU of 7u0m by Molmil
Crystal structure of a enoyl-[acyl-carrier-protein] reductase (InhA) from Mycobacterium abscessus bound to NAD and NITD-916
Descriptor: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
5ZPW
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BU of 5zpw by Molmil
Generation of a long-acting fusion inhibitor against HIV-1
Descriptor: MET-THR-TRP-GLU-GLU-TRP-ASP-MK8-LYS-ILE-GLU-MK8-TYR-THR-MK8-LYS-ILE-GLU-MK8-LEU-ILE-LYS-LYS-SER, Transmembrane protein gp41
Authors:Guo, Y, Shi, X.L.
Deposit date:2018-04-16
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Generation of a long-acting fusion inhibitor against HIV-1.
Medchemcomm, 9, 2018
5V6I
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BU of 5v6i by Molmil
Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
Descriptor: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
Authors:Zhou, A, Wei, Z, Bai, J, Wang, H.
Deposit date:2018-03-06
Release date:2019-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
5ZQE
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BU of 5zqe by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Cefuroxime bound form
Descriptor: 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018
6FZY
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BU of 6fzy by Molmil
PPAR mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-15
Release date:2019-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FSM
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BU of 6fsm by Molmil
Crystal structure of TCE-treated Thermolysin
Descriptor: CALCIUM ION, GLYCEROL, LYSINE, ...
Authors:Pichlo, C, Baumann, U.
Deposit date:2018-02-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7LSG
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BU of 7lsg by Molmil
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Siberian Subtype)
Descriptor: Core protein, T025 Fab Heavy Chain, T025 Fab Light Chain
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2021-02-18
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Broad and potent neutralizing human antibodies to tick-borne flaviviruses protect mice from disease.
J.Exp.Med., 218, 2021
7URF
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BU of 7urf by Molmil
Human HHAT H379C in complex with SHH N-terminal peptide
Descriptor: 3H02 heavy chain, 3H02 light chain, Digitonin, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URE
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BU of 7ure by Molmil
Human PORCN in complex with palmitoleoylated WNT3A peptide
Descriptor: 2C11 heavy chain, 2C11 light chain, Digitonin, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URA
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BU of 7ura by Molmil
Human PORCN in complex with Palmitoleoyl-CoA
Descriptor: 2C11 heavy chain, 2C11 light chain, CHOLESTEROL, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URC
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BU of 7urc by Molmil
Human PORCN in complex with LGK974
Descriptor: 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
7URD
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BU of 7urd by Molmil
Human PORCN in complex with LGK974 and WNT3A peptide
Descriptor: 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ...
Authors:Liu, Y, Qi, X, Li, X.
Deposit date:2022-04-21
Release date:2022-07-20
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
5TKM
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BU of 5tkm by Molmil
Crystal structure of human APOBEC3B N-terminal Domain
Descriptor: DNA dC->dU-editing enzyme APOBEC-3B, ZINC ION
Authors:Xiao, X, Yang, H, Arutiunian, V, Besse, G, Morimoto, C, Zirkle, B, Chen, X.S.
Deposit date:2016-10-07
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants of APOBEC3B non-catalytic domain for molecular assembly and catalytic regulation.
Nucleic Acids Res., 45, 2017
5ZQD
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BU of 5zqd by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Cefotaxime bound form
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018
7KR9
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BU of 7kr9 by Molmil
Bifunctional enzyme GlmU bound to Zn(II)
Descriptor: ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ...
Authors:Maher, M.J.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model.
Cell Rep, 38, 2022
5ZQA
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BU of 5zqa by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the apo form
Descriptor: DI(HYDROXYETHYL)ETHER, Lmo2812 protein, MAGNESIUM ION
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018
5ZQC
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BU of 5zqc by Molmil
Crystal Structure of Penicillin-Binding Protein D2 from Listeria monocytogenes in the Ampicillin bound form
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Lmo2812 protein
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2018-04-18
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Crystal Structures of Penicillin-Binding Protein D2 from Listeria monocytogenes and Structural Basis for Antibiotic Specificity
Antimicrob. Agents Chemother., 62, 2018

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