8G6B
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![BU of 8g6b by Molmil](/molmil-images/mine/8g6b) | Crystal structure of PfAMA1-RON2L chimera | Descriptor: | Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION | Authors: | Boulanger, M.J, Ramaswamy, R. | Deposit date: | 2023-02-14 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies. Nat Commun, 14, 2023
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8GD2
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![BU of 8gd2 by Molmil](/molmil-images/mine/8gd2) | Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1 | Authors: | Plau, J, Golczak, M. | Deposit date: | 2023-03-03 | Release date: | 2023-10-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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7X7O
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![BU of 7x7o by Molmil](/molmil-images/mine/7x7o) | SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K | Descriptor: | Spike protein S1, UT28K Fab, heavy chain, ... | Authors: | Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H. | Deposit date: | 2022-03-10 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants. Mabs, 14, 2022
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5K3H
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![BU of 5k3h by Molmil](/molmil-images/mine/5k3h) | Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-II | Descriptor: | Acyl-coenzyme A oxidase | Authors: | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | Deposit date: | 2016-05-19 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans. Proc.Natl.Acad.Sci.USA, 113, 2016
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7X4O
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![BU of 7x4o by Molmil](/molmil-images/mine/7x4o) | |
8GD4
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![BU of 8gd4 by Molmil](/molmil-images/mine/8gd4) | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with DMFO Inhibitor 6 | Descriptor: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide, Hdac6 protein, POTASSIUM ION, ... | Authors: | Watson, P.R, Craigin, A.D, Christianson, D.W. | Deposit date: | 2023-03-03 | Release date: | 2023-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6 . J.Med.Chem., 66, 2023
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5JU5
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![BU of 5ju5 by Molmil](/molmil-images/mine/5ju5) | |
8GYG
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![BU of 8gyg by Molmil](/molmil-images/mine/8gyg) | |
8G97
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![BU of 8g97 by Molmil](/molmil-images/mine/8g97) | |
5K67
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![BU of 5k67 by Molmil](/molmil-images/mine/5k67) | Designed Artificial Cupredoxins | Descriptor: | GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+ | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | Deposit date: | 2016-05-24 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Modular Artificial Cupredoxins. J.Am.Chem.Soc., 138, 2016
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8GEV
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![BU of 8gev by Molmil](/molmil-images/mine/8gev) | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | Descriptor: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | Authors: | Plau, J, Golczak, M. | Deposit date: | 2023-03-07 | Release date: | 2023-10-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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8GEU
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![BU of 8geu by Molmil](/molmil-images/mine/8geu) | Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 | Authors: | Plau, J, Golczak, M. | Deposit date: | 2023-03-07 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
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5K5C
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![BU of 5k5c by Molmil](/molmil-images/mine/5k5c) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose. | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5K5T
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![BU of 5k5t by Molmil](/molmil-images/mine/5k5t) | Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor. Elife, 5, 2016
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7XNG
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![BU of 7xng by Molmil](/molmil-images/mine/7xng) | Crystal structure of CBP bromodomain liganded with Y08092(31g) | Descriptor: | 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y. | Deposit date: | 2022-04-28 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08092(31g) To Be Published
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5K7F
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![BU of 5k7f by Molmil](/molmil-images/mine/5k7f) | Crystal structure of apo AibR | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2016-05-26 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. Nucleic Acids Res., 45, 2017
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7WX2
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![BU of 7wx2 by Molmil](/molmil-images/mine/7wx2) | CBP-BrD complexed with NEO2734 | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | Authors: | Zeng, L, Lei, J.D. | Deposit date: | 2022-02-14 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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5JYF
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5K7P
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![BU of 5k7p by Molmil](/molmil-images/mine/5k7p) | MicroED structure of xylanase at 2.3 A resolution | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2024-02-28 | Method: | ELECTRON CRYSTALLOGRAPHY (2.3 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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7XH0
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![BU of 7xh0 by Molmil](/molmil-images/mine/7xh0) | crystal structure of Csn-PD from Paenibacillus dendritiformis | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase | Authors: | Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L. | Deposit date: | 2022-04-07 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | crystal structure of Csn-PD from Paenibacillus dendritiformis To Be Published
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7WWZ
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![BU of 7wwz by Molmil](/molmil-images/mine/7wwz) | BRD4-BD1 complexed with NEO2734 | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | Authors: | Zeng, L, Lei, J.D. | Deposit date: | 2022-02-14 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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7XIJ
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![BU of 7xij by Molmil](/molmil-images/mine/7xij) | Crystal structure of CBP bromodomain liganded with Y08175 | Descriptor: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2022-04-13 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of CBP bromodomain liganded with Y08175 To Be Published
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8GJ4
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![BU of 8gj4 by Molmil](/molmil-images/mine/8gj4) | |
8GJP
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![BU of 8gjp by Molmil](/molmil-images/mine/8gjp) | |
7XII
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![BU of 7xii by Molmil](/molmil-images/mine/7xii) | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) & aminopropylagmatine | Descriptor: | 1-{4-[(3-aminopropyl)amino]butyl}guanidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Mizohata, E, Yasuda, Y. | Deposit date: | 2022-04-13 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis. Catalysts, 12, 2022
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