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8Q1C
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Substrate-free D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-phosphoglucomutase, ...
Authors:Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P.
Deposit date:2023-07-31
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q17
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BU of 8q17 by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Descriptor: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ...
Authors:Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
Deposit date:2023-07-30
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8Q0S
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BU of 8q0s by Molmil
X-ray structure of the single chain monellin derivative MNEI
Descriptor: ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ...
Authors:Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
Deposit date:2023-07-29
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
8Q0Q
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BU of 8q0q by Molmil
Outward-facing, slack proteoliposome complex I at 3.6 A. Initially purified in DDM
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q0P
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BU of 8q0p by Molmil
Crystal Structure of an N-terminal Domain of Variant Surface Glycoprotein 21 (VSG21) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein MITat 1.21
Authors:Zeelen, J.P, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8Q0O
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BU of 8q0o by Molmil
Outward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q0M
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BU of 8q0m by Molmil
Outward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q0J
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BU of 8q0j by Molmil
Inward-facing, slack proteoliposome complex I at 3.8 A. Initially purified in DDM.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q0F
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BU of 8q0f by Molmil
Inward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q0E
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BU of 8q0e by Molmil
Crystal Structure of the N-terminal Domain of Variant Surface Glycoprotein 545 (VSG545) of Trypanosome brucei brucei Lister 427
Descriptor: Variant surface glycoprotein 545
Authors:van Straaten, M, Stebbins, C.E.
Deposit date:2023-07-28
Release date:2023-09-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
8Q0A
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BU of 8q0a by Molmil
Inward-facing, closed proteoliposome complex I at 3.1 A. Initially purified in DDM.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-07-28
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
8Q05
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BU of 8q05 by Molmil
Chlorella sorokiniana Rubisco with CsLinker (alpha3-alpha4) bound: D4 symmetry expanded
Descriptor: CsLinker (alpha3-alpha4), Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small subunit, ...
Authors:Barrett, J, Blaza, J.N, Mackinder, L.C.M.
Deposit date:2023-07-27
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:A promiscuous mechanism to phase separate eukaryotic carbon fixation
To Be Published
8Q03
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BU of 8q03 by Molmil
Metagenomic lipase ORF30
Descriptor: GLYCEROL, ORF30, SULFATE ION, ...
Authors:Rangel Pereira, M, Balan, A, Hyvonen, M.
Deposit date:2023-07-27
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Lipases isolated from metagenomic libraries
To Be Published
8PZK
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BU of 8pzk by Molmil
Crystal structure of the Orange Carotenoid Protein 2 (OCP2) from Gloeocapsa sp. PCC 7428
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, GLYCEROL, ...
Authors:Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Maksimov, E.G, Popov, V.O, Sluchanko, N.N.
Deposit date:2023-07-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural framework for the understanding spectroscopic and functional signatures of the cyanobacterial Orange Carotenoid Protein families.
Int.J.Biol.Macromol., 254, 2024
8PZ7
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BU of 8pz7 by Molmil
crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57
Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methyl-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Rochel, N.
Deposit date:2023-07-27
Release date:2023-08-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
Descriptor: Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYW
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BU of 8pyw by Molmil
Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp.
Descriptor: GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate
Authors:Feracci, M, Chazot, A.
Deposit date:2023-07-26
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
8PYA
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BU of 8pya by Molmil
Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure
Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-07-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure
To Be Published
8PY9
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BU of 8py9 by Molmil
Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure
Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-07-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure
To Be Published
8PY8
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BU of 8py8 by Molmil
Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure
Descriptor: (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-07-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure
To Be Published
8PY3
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BU of 8py3 by Molmil
Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ...
Authors:Friedrich, F, Colcerasa, A, Einsle, O, Jung, M.
Deposit date:2023-07-24
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.
J.Med.Chem., 67, 2024
8PXZ
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BU of 8pxz by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate
Descriptor: (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid, (2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide, 1,2-ETHANEDIOL, ...
Authors:de Munnik, M, Schofield, C.J.
Deposit date:2023-07-24
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate
To Be Published

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PDB entries from 2024-08-07

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