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5P75
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BU of 5p75 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 302
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.431 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7J
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BU of 5p7j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 316
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7U
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BU of 5p7u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 327
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.098 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8D
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BU of 5p8d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 346
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
3CE7
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BU of 3ce7 by Molmil
Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
Descriptor: Specific mitochondrial acyl carrier protein
Authors:Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-02-28
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
5P8S
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BU of 5p8s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 361
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5JZB
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BU of 5jzb by Molmil
Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide
Descriptor: 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION
Authors:Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-16
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
7BL7
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BU of 7bl7 by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
3D18
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BU of 3d18 by Molmil
Crystal structure of HLA-B*2709 complexed with a variant of the latent membrane protein 2 peptide (LMP2(L)) of epstein-barr virus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ...
Authors:Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W.
Deposit date:2008-05-05
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of HLA-B*2709 complexed with a variant of the latent membrane protein 2 peptide (LMP2(L)) of epstein-barr virus
To be Published
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
Authors:Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
Deposit date:2021-01-13
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
1ADJ
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BU of 1adj by Molmil
HISTIDYL-TRNA SYNTHETASE IN COMPLEX WITH HISTIDINE
Descriptor: HISTIDINE, HISTIDYL-TRNA SYNTHETASE, SULFATE ION
Authors:Cusack, S, Aberg, A.
Deposit date:1997-02-18
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure analysis of the activation of histidine by Thermus thermophilus histidyl-tRNA synthetase.
Biochemistry, 36, 1997
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
6WKP
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BU of 6wkp by Molmil
Crystal structure of RNA-binding domain of nucleocapsid phosphoprotein from SARS CoV-2, monoclinic crystal form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-16
Release date:2020-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
1A01
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BU of 1a01 by Molmil
HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1997-12-08
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
8F1A
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BU of 8f1a by Molmil
Apo KIF20A[1-565] class-1 in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H.
Deposit date:2022-11-04
Release date:2023-09-20
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
3CRL
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BU of 3crl by Molmil
Crystal structure of the PDHK2-L2 complex.
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, MAGNESIUM ION, ...
Authors:Popov, K.M, Luo, M, Green, T.J, Grigorian, A, Klyuyeva, A, Tuganova, A.
Deposit date:2008-04-07
Release date:2008-04-29
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2.
J.Biol.Chem., 283, 2008
8F18
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BU of 8f18 by Molmil
Apo KIF20A[1-565] class-2 in complex with a microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
Authors:Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H.
Deposit date:2022-11-04
Release date:2023-09-20
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
5JZ9
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BU of 5jz9 by Molmil
Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid
Descriptor: 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase
Authors:Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-16
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
7P0Z
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BU of 7p0z by Molmil
2.43 A Mycobacterium marinum EspB.
Descriptor: ESX-1 secretion-associated protein EspB
Authors:Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
Deposit date:2021-07-01
Release date:2021-08-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
7P13
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BU of 7p13 by Molmil
2.29 A Mycobacterium tuberculosis EspB.
Descriptor: ESX-1 secretion-associated protein EspB
Authors:Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
Deposit date:2021-07-01
Release date:2021-08-18
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.29 Å)
Cite:Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
7P68
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BU of 7p68 by Molmil
Globular glial tauopathy type 3 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6D
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BU of 7p6d by Molmil
Argyrophilic grain disease type 1 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P67
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BU of 7p67 by Molmil
Globular glial tauopathy type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6E
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BU of 7p6e by Molmil
Argyrophilic grain disease type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
8V15
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BU of 8v15 by Molmil
Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol
Descriptor: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ...
Authors:Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T.
Deposit date:2023-11-19
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023

223532

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