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7MZI
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BU of 7mzi by Molmil
SARS-CoV-2 receptor binding domain bound to Fab WCSL 129
Descriptor: GLYCEROL, Spike protein S1, TETRAETHYLENE GLYCOL, ...
Authors:Pymm, P, Tan, L.L, Dietrich, M.H, Chan, L.J, Tham, W.H.
Deposit date:2021-05-24
Release date:2021-10-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
7NHG
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BU of 7nhg by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound ASI_M3M_041
Descriptor: ACETATE ION, N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-10-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6WZM
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BU of 6wzm by Molmil
LY3041658 Fab bound to CXCL8
Descriptor: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ...
Authors:Durbin, J.D, Druzina, Z.
Deposit date:2020-05-14
Release date:2020-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
7NHV
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BU of 7nhv by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ016
Descriptor: (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NHH
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BU of 7nhh by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ002
Descriptor: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-10
Release date:2021-10-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7NI7
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BU of 7ni7 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ031
Descriptor: (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-02-11
Release date:2021-10-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
4WIQ
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BU of 4wiq by Molmil
The structure of Murine alpha-Dystroglycan T190M mutant N-terminal domain.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dystroglycan
Authors:Brancaccio, A, Lamba, D, Cassetta, A, Bozzi, M, Covaceuszach, S, Sciandra, F, Bigotti, M.G.
Deposit date:2014-09-26
Release date:2015-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The Structure of the T190M Mutant of Murine alpha-Dystroglycan at High Resolution: Insight into the Molecular Basis of a Primary Dystroglycanopathy.
Plos One, 10, 2015
184D
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BU of 184d by Molmil
SELF-ASSOCIATION OF A DNA LOOP CREATES A QUADRUPLEX: CRYSTAL STRUCTURE OF D(GCATGCT) AT 1.8 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), MAGNESIUM ION
Authors:Leonard, G.A, Zhang, S, Peterson, M.R, Harrop, S.J, Helliwell, J.R, Cruse, W.B.T, Langlois D'Estaintot, B, Kennard, O, Brown, T, Hunter, W.N.
Deposit date:1994-08-10
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 A resolution.
Structure, 3, 1995
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
4X91
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BU of 4x91 by Molmil
Crystal structure of Lysosomal Phospholipase A2 in complex with Isopropyl dodec-11-enylfluorophosphonate (IDFP)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: CALCIUM ION, DC-SIGN, CRD domain, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
4WF1
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BU of 4wf1 by Molmil
Crystal structure of the E. coli ribosome bound to negamycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C.
Deposit date:2014-09-11
Release date:2014-11-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
7NL4
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BU of 7nl4 by Molmil
OsNIP2;1 silicon transporter from rice
Descriptor: Aquaporin NIP2-1, CADMIUM ION
Authors:van den Berg, B.
Deposit date:2021-02-22
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Silicic Acid Uptake by Higher Plants.
J.Mol.Biol., 433, 2021
7OY5
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BU of 7oy5 by Molmil
Crystal structure of GSK3Beta in complex with ARN25068
Descriptor: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
Authors:Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
Descriptor: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
8YU4
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BU of 8yu4 by Molmil
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Qiang, G, Zheng, Y.C, Feng, L, Yu, H.L.
Deposit date:2024-03-26
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Loop Engineering Facilitates the Nicotinamide Cofactors Utilization of BVMOs
To Be Published
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Descriptor: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
4X55
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BU of 4x55 by Molmil
Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225
Authors:Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
Deposit date:2014-12-04
Release date:2015-03-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4P3U
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BU of 4p3u by Molmil
Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
Descriptor: 5'-R(*UP*UP*GP*CP*GP*UP*CP*UP*CP*GP*(5BU)P*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Kondo, J, Koganei, M.
Deposit date:2014-03-10
Release date:2016-05-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the bacterial A1408U-mutant ribosomal decoding site (C2 form 1)
To Be Published
4WRE
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BU of 4wre by Molmil
Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
Authors:Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
8PSX
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BU of 8psx by Molmil
Tilapia Lake Virus polymerase in vRNA elongation state (transcriptase conformation)
Descriptor: 5' vRNA end - vRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-07-13
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023
8FKJ
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BU of 8fkj by Molmil
Yeast ATP Synthase in conformation-3, at pH 6
Descriptor: ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ...
Authors:Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M.
Deposit date:2022-12-21
Release date:2024-01-24
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
4WY0
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BU of 4wy0 by Molmil
PdxS (G. stearothermophilus) co-crystallized with R5P in the presence of ammonia.
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, PHOSPHATE ION, ...
Authors:Smith, J.L, Smith, A.M.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
4WZT
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BU of 4wzt by Molmil
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type A (triglycan)
Descriptor: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-11-20
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
8PSZ
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BU of 8psz by Molmil
Tilapia Lake Virus polymerase in vRNA elongation state with additional mode B promoter (transcriptase conformation)
Descriptor: 5' vRNA end - vRNA loop (40-mer), MAGNESIUM ION, Polymerase acidic protein (PA-like), ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-07-13
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family.
Nat Commun, 14, 2023

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