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8RRP
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BU of 8rrp by Molmil
Insulin Icodec - A14E B16H B25H B29Ne-C20 diacid-LgGlu-2xAdo desB30 human insulin
Descriptor: ACETATE ION, Insulin, Insulin B chain
Authors:Schluckebier, G, Johansson, E.
Deposit date:2024-01-23
Release date:2024-07-10
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhanced disulphide bond stability contributes to the once-weekly profile of insulin icodec.
Nat Commun, 15, 2024
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
Descriptor: S-layer protein SlpA
Authors:Farci, D, Piano, D.
Deposit date:2022-04-04
Release date:2022-07-13
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
4BBX
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BU of 4bbx by Molmil
Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia
Descriptor: 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
Authors:Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G.
Deposit date:2012-09-28
Release date:2013-10-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.
J.Med.Chem., 57, 2014
8RPR
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BU of 8rpr by Molmil
Crystal Structure of SgvM methyltransferase in complex with alpha-ketoleucine and Zn2+ ion
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Saleem-Batcha, R, Zou, Z, Breiltgens, J, Mueller, M, Andexer, J.N.
Deposit date:2024-01-16
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Chembiochem, 25, 2024
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
Descriptor: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-06-21
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
8S5Y
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BU of 8s5y by Molmil
High pH (8.0) as-isolated MSOX movie series dataset 40 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [14 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-02-26
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
8A5J
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BU of 8a5j by Molmil
Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit
Authors:Nawrotek, A, Vuillard, L, Miallau, L.
Deposit date:2022-06-15
Release date:2022-07-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
4B93
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BU of 4b93 by Molmil
Complex of Vamp7 cytoplasmic domain with 2nd ankyrin repeat domain of Varp
Descriptor: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7
Authors:Schaefer, I.B, Owen, D.J, Luzio, J.P, Evans, P.R.
Deposit date:2012-08-31
Release date:2012-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Binding of Varp to Vamp7 Traps Vamp7 in a Closed, Fusogenically Inactive Conformation.
Nat.Struct.Mol.Biol., 19, 2012
7ZJT
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BU of 7zjt by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution
Descriptor: 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-11
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
4B6X
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BU of 4b6x by Molmil
Crystal structure of in planta processed AvrRps4
Descriptor: ACETATE ION, AVIRULENCE PROTEIN
Authors:Sohn, K.H, Hughes, R.K, Piquerez, S.J, Jones, J.D.G, Banfield, M.J.
Deposit date:2012-08-15
Release date:2012-09-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Distinct Regions of the Pseudomonas Syringae Coiled-Coil Effector Avrrps4 are Required for Activation of Immunity.
Proc.Natl.Acad.Sci.USA, 109, 2012
8S63
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BU of 8s63 by Molmil
Low pH (5.5) as-isolated MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.71 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-02-26
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7ZS6
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BU of 7zs6 by Molmil
Crystal structure of Apis mellifera RidA
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ...
Authors:Visentin, C, Rizzi, G, Ricagno, S.
Deposit date:2022-05-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage.
Biochem.Biophys.Res.Commun., 616, 2022
8R6A
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BU of 8r6a by Molmil
DTX1 WWE domain in complex with ADP bound to WWE1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
Authors:Muenzker, L, Zak, K.M, Boettcher, J.
Deposit date:2023-11-21
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
4B8B
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BU of 4b8b by Molmil
N-Terminal domain of the yeast Not1
Descriptor: GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 1, GOLD ION
Authors:Basquin, J, Conti, E.
Deposit date:2012-08-26
Release date:2012-11-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Architecture of the Nuclease Module of the Yeast Ccr4-not Complex: The not1-Caf1-Ccr4 Interaction.
Mol.Cell, 48, 2012
4AVA
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BU of 4ava by Molmil
Crystal structure of protein lysine acetyltransferase Rv0998 from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ACETYL COENZYME *A, ...
Authors:Lee, H.J, Lang, P.T, Fortune, S.M, Sassetti, C.M, Alber, T.
Deposit date:2012-05-24
Release date:2012-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Cyclic AMP Regulation of Protein Lysine Acetylation in Mycobacterium Tuberculosis.
Nat.Struct.Mol.Biol., 19, 2012
7ZM2
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BU of 7zm2 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
Descriptor: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Authors:Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
Deposit date:2022-04-19
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
8RS5
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BU of 8rs5 by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 4
Descriptor: CHLORIDE ION, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Coquille, S, Engilberge, S, Madern, D.
Deposit date:2024-01-24
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
8RFR
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BU of 8rfr by Molmil
Low pH (5.5) nitrite-bound MSOX movie series dataset 7 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [4.27 MGy] - NO/water intermediate
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
Authors:Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2023-12-13
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
4AW6
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BU of 4aw6 by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-05-31
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-05-30
Release date:2022-07-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
4B3I
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BU of 4b3i by Molmil
Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase active sites
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, ...
Authors:Venkatesan, R, Wierenga, R.K.
Deposit date:2012-07-24
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway.
Acs Chem.Biol., 8, 2013
8RFX
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BU of 8rfx by Molmil
High pH (8.0) as-isolated MSOX movie series dataset 5 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [2.05 MGy]
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2023-12-13
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7ZWH
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BU of 7zwh by Molmil
VWF Tubules of D1D2 and D'D3A1 domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Javitt, G, Fass, D.
Deposit date:2022-05-19
Release date:2022-07-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Assembly of von Willebrand factor tubules with in vivo helical parameters requires A1 domain insertion.
Blood, 140, 2022
4B8T
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BU of 4b8t by Molmil
RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence.
Descriptor: 5'-R(*AP*GP*GP*GP*UP)-3', KH-TYPE SPLICING REGULATORY PROTEIN
Authors:Nicastro, G, Garcia-Mayoral, M.F, Hollingworth, D, Kelly, G, Martin, S.R, Briata, P, Gherzi, R, Ramos, A.
Deposit date:2012-08-30
Release date:2012-11-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Noncanonical G Recognition Mediates Ksrp Regulation of Let-7 Biogenesis
Nat.Struct.Mol.Biol., 19, 2012
7ZF0
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BU of 7zf0 by Molmil
Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile
Descriptor: (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ...
Authors:Putkaradze, N, Fredslund, F, Welner, D.H.
Deposit date:2022-03-31
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Plant J., 111, 2022

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PDB entries from 2024-10-16

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