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1A4I
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HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE
Descriptor: METHYLENETETRAHYDROFOLATE DEHYDROGENASE / METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Allaire, M, Li, Y, Mackenzie, R.E, Cygler, M.
Deposit date:1998-01-30
Release date:1999-02-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 3-D structure of a folate-dependent dehydrogenase/cyclohydrolase bifunctional enzyme at 1.5 A resolution.
Structure, 6, 1998
8UT2
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Pre-fusion Measles virus fusion protein complexed with Fab 77
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-10-30
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
8UUQ
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Structure of the Measles virus Fusion protein in the pre-fusion conformation with bound [FIP-HRC]2-PEG11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, [FIP-HRC]2-PEG11, ...
Authors:Zyla, D, Saphire, E.O.
Deposit date:2023-11-01
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
6VHQ
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BU of 6vhq by Molmil
Crystal structure of Bacillus subtilis levansucrase (D86A/E342A) in complex with oligosaccharides
Descriptor: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 68 protein, ...
Authors:Diaz-Vilchis, A, Raga-Carbajal, E, Rojas-Trejo, S, Olvera, C, Rudino-Pinera, E.
Deposit date:2020-01-10
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:The molecular basis of the nonprocessive elongation mechanism in levansucrases.
J.Biol.Chem., 296, 2020
5ELY
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BU of 5ely by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ...
Authors:Barinka, C, Novakova, Z, Pavlicek, J.
Deposit date:2015-11-05
Release date:2016-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
6E7T
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BU of 6e7t by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
5KZW
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BU of 5kzw by Molmil
Crystal structure of human GAA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Deming, D.T, Garman, S.C.
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of human GAA: structural basis of Pompe disease
To be published
6B3S
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BU of 6b3s by Molmil
Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
Authors:Ferguson, K.M, Bagchi, A.
Deposit date:2017-09-23
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Basis for Necitumumab Inhibition of EGFR Variants Associated with Acquired Cetuximab Resistance.
Mol. Cancer Ther., 17, 2018
6KLI
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BU of 6kli by Molmil
Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2019-07-30
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
6K0N
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BU of 6k0n by Molmil
Catalytic domain of GH87 alpha-1,3-glucanase in complex with nigerose
Descriptor: ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ...
Authors:Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
Deposit date:2019-05-07
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
Descriptor: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
Deposit date:2018-01-11
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
6KLJ
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BU of 6klj by Molmil
Crystal Structure of the Zea Mays laccase 3 complexed with coniferyl
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xie, T, Liu, Z.C, Wang, G.G.
Deposit date:2019-07-30
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis for monolignol oxidation by a maize laccase.
Nat.Plants, 6, 2020
6KC2
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BU of 6kc2 by Molmil
Crystal Structure of Lectin from Pleurotus ostreatus in complex with Rhamnose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lectin, ...
Authors:Gunasekaran, K, Pletnev, S, Luo, Z, Vajravijayan, S, Nandhagopal, N.
Deposit date:2019-06-26
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Int.J.Biol.Macromol., 152, 2020
8PAF
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BU of 8paf by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine
Descriptor: 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
8PA6
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BU of 8pa6 by Molmil
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine
Descriptor: 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl 2-aminoethenoadenosine, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Dillenburg, M, Wagner, C.R.
Deposit date:2023-06-07
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Novel inhibitors for hHINT1 protein
To Be Published
7CRQ
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BU of 7crq by Molmil
NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode)
Descriptor: DNA (168-MER), Histone H2A, Histone H2B, ...
Authors:Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z.
Deposit date:2020-08-14
Release date:2020-10-21
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
8OJS
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BU of 8ojs by Molmil
Crystal structure of the human IgD Fab - structure Fab1
Descriptor: 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ...
Authors:Davies, A.M, Beavil, R.L, McDonnell, J.M.
Deposit date:2023-03-24
Release date:2023-06-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
8OJU
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BU of 8oju by Molmil
Crystal structure of the human IgD Fab - structure Fab3
Descriptor: 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ...
Authors:Davies, A.M, Beavil, R.L, McDonnell, J.M.
Deposit date:2023-03-24
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
8OJV
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BU of 8ojv by Molmil
Crystal structure of the human IgD Fab - structure Fab4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Davies, A.M, Beavil, R.L, McDonnell, J.M.
Deposit date:2023-03-24
Release date:2023-06-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
5ZNN
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BU of 5znn by Molmil
Crystal structure of ligand-free form of the Vps10 ectodomain of Sortilin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Yabe-Wada, T, Unno, M.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Crystal structure of the ligand-free form of the Vps10 ectodomain of dimerized Sortilin at acidic pH
FEBS Lett., 592, 2018
8OJT
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BU of 8ojt by Molmil
Crystal structure of the human IgD Fab - structure Fab2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ...
Authors:Davies, A.M, Beavil, R.L, McDonnell, J.M.
Deposit date:2023-03-24
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
7C9S
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BU of 7c9s by Molmil
Echovirus 30 F-particle
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Wang, K, Sun, Y, Zhu, L, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X.
Deposit date:2020-06-07
Release date:2020-07-29
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
8OU8
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BU of 8ou8 by Molmil
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ...
Authors:Rodriguez Buitrago, J.A, Parisini, E, Aigars, J.
Deposit date:2023-04-22
Release date:2023-07-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
8P6J
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BU of 8p6j by Molmil
Structure of the hypervariable region of Streptococcus pyogenes M3 protein in complex with a collagen peptide
Descriptor: Antiphagocytic M protein, type 3, collagen II-27 Toolkit peptide (JDM238)
Authors:Wojnowska, M, Schwarz-Linek, U.
Deposit date:2023-05-26
Release date:2023-06-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.324 Å)
Cite:Structural basis for collagen recognition by the Streptococcus pyogenes M3 protein
To Be Published

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