6EVN
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![BU of 6evn by Molmil](/molmil-images/mine/6evn) | Crystal structure of peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complex with Pro-Pro-Gly-Pro-Ala-Gly-Pro-Pro-Gly. | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ALA-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | Deposit date: | 2017-11-02 | Release date: | 2018-09-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif. Protein Sci., 27, 2018
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6B4J
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![BU of 6b4j by Molmil](/molmil-images/mine/6b4j) | Crystal structure of human Gle1 CTD-Nup42 GBM-DDX19B(AMPPNP) complex | Descriptor: | ATP-dependent RNA helicase DDX19B, MAGNESIUM ION, Nucleoporin GLE1, ... | Authors: | Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A. | Deposit date: | 2017-09-26 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural and functional analysis of mRNA export regulation by the nuclear pore complex. Nat Commun, 9, 2018
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6P9F
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![BU of 6p9f by Molmil](/molmil-images/mine/6p9f) | Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-06-10 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6Y8B
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![BU of 6y8b by Molmil](/molmil-images/mine/6y8b) | 14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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7PP3
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![BU of 7pp3 by Molmil](/molmil-images/mine/7pp3) | |
8RGB
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![BU of 8rgb by Molmil](/molmil-images/mine/8rgb) | High pH (8.0) nitrite-bound MSOX movie series dataset 5 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [3.4 MGy] | Descriptor: | CARBON DIOXIDE, 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 (1.39 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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7PUI
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![BU of 7pui by Molmil](/molmil-images/mine/7pui) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid | Descriptor: | Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-09-30 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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6Y8K
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![BU of 6y8k by Molmil](/molmil-images/mine/6y8k) | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | Deposit date: | 2020-03-05 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist. J Immunother Cancer, 9, 2021
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6Y3Q
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![BU of 6y3q by Molmil](/molmil-images/mine/6y3q) | Streptavidin mutant S112R_K121E with a biotC5-1 cofactor - an artificial iron hydroxylase | Descriptor: | SULFATE ION, Streptavidin, biotC5-1 cofactor | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | Deposit date: | 2020-02-18 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology. J.Am.Chem.Soc., 142, 2020
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6JAH
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![BU of 6jah by Molmil](/molmil-images/mine/6jah) | Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with glucose | Descriptor: | (2S)-heptane-1,2,7-triol, 1,2-ETHANEDIOL, ABC transporter, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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7PPX
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![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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8QOU
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![BU of 8qou by Molmil](/molmil-images/mine/8qou) | Reactive intermediate deaminase A mutant - R107K | Descriptor: | 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S. | Deposit date: | 2023-09-29 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reactive intermediate deaminase A mutant - R107K To Be Published
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5FX5
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![BU of 5fx5 by Molmil](/molmil-images/mine/5fx5) | Novel inhibitors of human rhinovirus 3C protease | Descriptor: | GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ... | Authors: | Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q. | Deposit date: | 2016-02-24 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 26, 2016
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6Y8N
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![BU of 6y8n by Molmil](/molmil-images/mine/6y8n) | Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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7PVE
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![BU of 7pve by Molmil](/molmil-images/mine/7pve) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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5G10
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![BU of 5g10 by Molmil](/molmil-images/mine/5g10) | Pseudomonas aeruginosa HDAH bound to 9,9,9 trifluoro-8,8-dihydroy-N-phenylnonanamide | Descriptor: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HDAH, POTASSIUM ION, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa. Biochemistry, 55, 2016
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8RG8
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![BU of 8rg8 by Molmil](/molmil-images/mine/8rg8) | High pH (8.0) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.68 MGy] | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 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 (1.21 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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6JBB
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![BU of 6jbb by Molmil](/molmil-images/mine/6jbb) | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with sucrose | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | Deposit date: | 2019-01-25 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter. Febs J., 287, 2020
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7KUV
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![BU of 7kuv by Molmil](/molmil-images/mine/7kuv) | |
6EWP
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![BU of 6ewp by Molmil](/molmil-images/mine/6ewp) | Mus musculus CEP120 third C2 domain (C2C) | Descriptor: | Centrosomal protein of 120 kDa, HEXAETHYLENE GLYCOL | Authors: | van Breugel, M, al-Jassar, C. | Deposit date: | 2017-11-06 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Disease-Associated Mutations in CEP120 Destabilize the Protein and Impair Ciliogenesis. Cell Rep, 23, 2018
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5UDU
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![BU of 5udu by Molmil](/molmil-images/mine/5udu) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with manganese | Descriptor: | Lactate racemization operon protein LarE, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6PAU
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6JBN
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![BU of 6jbn by Molmil](/molmil-images/mine/6jbn) | Crystal structure of Sphingomonas sp. A1 peroxidase EfeB responsible for import of iron | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, OXYGEN MOLECULE, ... | Authors: | Okumura, K, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2019-01-26 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rare metal binding by a cell-surface component of bacterial EfeUOB iron importer To Be Published
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7PVG
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![BU of 7pvg by Molmil](/molmil-images/mine/7pvg) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | Descriptor: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-02 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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8RFS
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![BU of 8rfs by Molmil](/molmil-images/mine/8rfs) | Low pH (5.5) nitrite-bound MSOX movie series dataset 11 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [6.71 MGy] - water ligand | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | 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 (1.54 Å) | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases. J.Mol.Biol., 436, 2024
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