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8X1H
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BU of 8x1h by Molmil
Crystal structure of N-terminal domain of Nucleocapsid protein of SARS-CoV-2
Descriptor: GLYCEROL, Nucleoprotein
Authors:Kumari, S, Gupta, G.D.
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unveiling potential inhibitors targeting the nucleocapsid protein of SARS-CoV-2: Structural insights into their binding sites.
Int.J.Biol.Macromol., 273, 2024
6A8D
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BU of 6a8d by Molmil
Crystal Structure of Chlamydomonas reinhardtii ARF
Descriptor: ARF/SAR superfamily small monomeric GTP binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kumari, S, Goel, M, Kateriya, S, Sharma, P.
Deposit date:2018-07-06
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of Chlamydomonas reinhardtii Arf
To Be Published
5XLU
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BU of 5xlu by Molmil
High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
Descriptor: (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Kumari, S, Goel, M, Gupta, R, Pal, R.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
To Be Published
7UXL
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BU of 7uxl by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-44 and RUPA-29
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-29 Fab Heavy chain, ...
Authors:Hailemariam, S, Ivanochko, D, Julien, J.P.
Deposit date:2022-05-05
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Highly potent, naturally acquired human monoclonal antibodies against Pfs48/45 block Plasmodium falciparum transmission to mosquitoes.
Immunity, 56, 2023
7UNB
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BU of 7unb by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-117 and RUPA-47
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-117 Fab heavy chain, ...
Authors:Hailemariam, S, McLeod, B, Julien, J.-P.
Deposit date:2022-04-10
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Vaccination with a structure-based stabilized version of malarial antigen Pfs48/45 elicits ultra-potent transmission-blocking antibody responses.
Immunity, 55, 2022
8U70
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BU of 8u70 by Molmil
Crystal structure of malaria transmission-blocking anti-Pfs48/45 antibody RUPA-58.
Descriptor: Antibody RUPA-58 Heavy chain, Antibody RUPA-58 Kappa chain
Authors:Hailemariam, S, Ivanochko, D, Julien, J.P.
Deposit date:2023-09-14
Release date:2024-09-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural elucidation of full-length Pfs48/45 in complex with potent mAbs isolated from a naturally exposed individual.
To Be Published
6A88
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BU of 6a88 by Molmil
Crystal Structure of T. gondii prolyl tRNA synthetase with Febrifugine and ATP Analog
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kumari, S, Mishra, S, Yogavel, M, Sharma, A.
Deposit date:2018-07-06
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase.
Acta Crystallogr.,Sect.F, 75, 2019
5Y8X
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BU of 5y8x by Molmil
Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Kumari, S, Goel, M, Pal, R, Gupta, R.
Deposit date:2017-08-21
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
To Be Published
5ZDI
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BU of 5zdi by Molmil
Crystal structure of CsaA chaperone protein from picrophilus torridus
Descriptor: GLYCEROL, Protein secretion chaperonin CsaA
Authors:Kumari, S, Sharma, A, Goel, M.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of CsaA chaperone protein from picrophilus torridus
To Be Published
4BBN
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BU of 4bbn by Molmil
NEDD4 HECT-Ub:Ub complex
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE NEDD4, POLYUBIQUITIN-B
Authors:Maspero, E, Valentini, E, Mari, S, Cecatiello, V, Polo, S, Pasqualato, S.
Deposit date:2012-09-27
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of a Ubiquitin-Loaded Hect Ligase Reveals the Molecular Basis for Catalytic Priming
Nat.Struct.Mol.Biol., 20, 2013
4BE8
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BU of 4be8 by Molmil
NEDD4 HECT A889F structure
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE NEDD4
Authors:Maspero, E, Valentini, E, Mari, S, Cecatiello, V, Polo, S, Pasqualato, S.
Deposit date:2013-03-06
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.996 Å)
Cite:Structure of a Ubiquitin-Loaded Hect Ligase Reveals the Molecular Basis for Catalytic Priming
Nat.Struct.Mol.Biol., 20, 2013
5A7D
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BU of 5a7d by Molmil
Tetrameric assembly of LGN with Inscuteable
Descriptor: INSCUTEABLE, PINS
Authors:Culurgioni, S, Mari, S, Bonetto, G, Gallini, S, Brennich, M, Round, A, Mapelli, M.
Deposit date:2015-07-07
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Structure of the Insc:Lgn Tetramer Reveals a New Function of Lgn in Promoting Asymmetric Cell Divisions
To be Published
1BMW
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BU of 1bmw by Molmil
A fibronectin type III fold in plant allergens: The solution structure of Phl PII from timothy grass pollen, NMR, 38 STRUCTURES
Descriptor: POLLEN ALLERGEN PHL P2
Authors:De Marino, S, Morelli, M.A.C, Fraternali, F, Tamborino, E, Vrtala, S, Dolecek, C, Arosio, P, Valenta, R, Pastore, A.
Deposit date:1998-07-27
Release date:1999-01-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An Immunoglobulin-Like Fold in a Major Plant Allergen: The Solution Structure of Phl P 2 from Timothy Grass Pollen.
Structure Fold.Des., 7, 1999
5FV9
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BU of 5fv9 by Molmil
Crystal structure of GalNAc-T2 in complex with compound 16d
Descriptor: 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ...
Authors:Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P.
Deposit date:2016-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.
Chemistry, 22, 2016
5C3G
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BU of 5c3g by Molmil
Crystal structure of Bcl-xl bound to BIM-MM
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Bcl-2-like protein 11
Authors:Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J.
Deposit date:2015-06-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016
5C3F
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BU of 5c3f by Molmil
Crystal structure of Mcl-1 bound to BID-MM
Descriptor: BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J.
Deposit date:2015-06-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016
6AA0
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BU of 6aa0 by Molmil
Crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in Apo Form
Descriptor: GLYCEROL, Prolyl-tRNA synthetase (ProRS)
Authors:Mishra, S, Kumari, S, Sharma, A, Yogavel, M.
Deposit date:2018-07-16
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase.
Acta Crystallogr.,Sect.F, 75, 2019
5I7R
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BU of 5i7r by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 2 [3-(3-([1,1'-biphenyl]-3-yl)ureido)benzoic acid]
Descriptor: 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid, ACETATE ION, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I7O
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BU of 5i7o by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 7 [3-(3-(4-Chlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I6D
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BU of 5i6d by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
Descriptor: 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I7A
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BU of 5i7a by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-17
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I7H
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BU of 5i7h by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid]
Descriptor: 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-17
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5IWC
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BU of 5iwc by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid]
Descriptor: 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Lindqvist, Y, Schneider, G.
Deposit date:2016-03-22
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
8JZA
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BU of 8jza by Molmil
Crystal structure of single domain antibody kt75 of human Thyroglobulin
Descriptor: ACETATE ION, POTASSIUM ION, single domain antibody kt75 of human Thyroglobulin
Authors:Mistry, H, Kumarasamy, J, Kumari, S, Kulkarni, S.P, Gupta, G.D.
Deposit date:2023-07-04
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of single domain antibody kt75 of human Thyroglobulin
To Be Published
5Y9B
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BU of 5y9b by Molmil
Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with DON
Descriptor: 1,2-ETHANEDIOL, 6-DIAZENYL-5-OXO-L-NORLEUCINE, CALCIUM ION, ...
Authors:Goel, M, Kumari, S, Pal, R, Gupta, R.
Deposit date:2017-08-24
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
To Be Published

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