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8G6B
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Crystal structure of PfAMA1-RON2L chimera
分子名称: Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION
著者Boulanger, M.J, Ramaswamy, R.
登録日2023-02-14
公開日2023-09-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies.
Nat Commun, 14, 2023
7X7O
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BU of 7x7o by Molmil
SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K
分子名称: Spike protein S1, UT28K Fab, heavy chain, ...
著者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.
登録日2022-03-10
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants.
Mabs, 14, 2022
8GD2
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BU of 8gd2 by Molmil
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
分子名称: 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
著者Plau, J, Golczak, M.
登録日2023-03-03
公開日2023-10-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
7X4O
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Crystal structure of Vps17p PX from S. cerevisiae (Space)
分子名称: SULFATE ION, Vacuolar protein sorting-associated protein 17
著者Maita, N, Kohda, D, Obita, T.
登録日2022-03-03
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of the PX domain of Vps17p from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.F, 78, 2022
5K3H
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BU of 5k3h by Molmil
Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-II
分子名称: Acyl-coenzyme A oxidase
著者Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A.
登録日2016-05-19
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献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
5JU5
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BU of 5ju5 by Molmil
Crystal structure of the human Tankyrase 1 (TNKS) SAM domain (D1055R), crystal form 1
分子名称: Tankyrase-1
著者Guetter, S, Mariotti, L, Cronin, N.
登録日2016-05-10
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tankyrase Requires SAM Domain-Dependent Polymerization to Support Wnt-beta-Catenin Signaling.
Mol.Cell, 63, 2016
8GD4
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BU of 8gd4 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with DMFO Inhibitor 6
分子名称: 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Craigin, A.D, Christianson, D.W.
登録日2023-03-03
公開日2023-10-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6 .
J.Med.Chem., 66, 2023
8GYG
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Purification ,Crystallization and X-ray Diffraction analysis of a novel arysulfatase from Pseudoalteromonas atlantica T6c
分子名称: Arysulfatase, CALCIUM ION, MANGANESE (II) ION
著者Dong, P.P, Wu, Y.K.
登録日2022-09-22
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Purification ,Crystallization and X-ray Diffraction analysis of a novel arysulfatase from Pseudoalteromonas atlantica T6c
To Be Published
8G97
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Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (D-Ornithine bound)
分子名称: D-ORNITHINE, Dimodular nonribosomal peptide synthase, GLYCEROL, ...
著者Patel, K.D, Gulick, A.M.
登録日2023-02-21
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
5K67
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BU of 5k67 by Molmil
Designed Artificial Cupredoxins
分子名称: GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
8GEV
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BU of 8gev by Molmil
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
分子名称: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1
著者Plau, J, Golczak, M.
登録日2023-03-07
公開日2023-10-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GEU
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BU of 8geu by Molmil
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
分子名称: 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
著者Plau, J, Golczak, M.
登録日2023-03-07
公開日2023-10-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
5K5C
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BU of 5k5c by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose.
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ...
著者Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者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.
登録日2016-05-23
公開日2016-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
7XNG
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BU of 7xng by Molmil
Crystal structure of CBP bromodomain liganded with Y08092(31g)
分子名称: 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
登録日2022-04-28
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of CBP bromodomain liganded with Y08092(31g)
To Be Published
5K7F
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BU of 5k7f by Molmil
Crystal structure of apo AibR
分子名称: ACETATE ION, Transcriptional regulator, TetR family
著者Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
登録日2016-05-26
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7WX2
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BU of 7wx2 by Molmil
CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
5JYF
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BU of 5jyf by Molmil
Structures of Streptococcus agalactiae GBS GAPDH in different enzymatic states
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Schormann, N, Chattopadhyay, D.
登録日2016-05-13
公開日2016-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes.
PLoS ONE, 11, 2016
5K7P
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BU of 5k7p by Molmil
MicroED structure of xylanase at 2.3 A resolution
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者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.
登録日2016-05-26
公開日2017-04-05
最終更新日2024-02-28
実験手法ELECTRON CRYSTALLOGRAPHY (2.3 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
7XH0
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BU of 7xh0 by Molmil
crystal structure of Csn-PD from Paenibacillus dendritiformis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase
著者Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L.
登録日2022-04-07
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献crystal structure of Csn-PD from Paenibacillus dendritiformis
To Be Published
7WWZ
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BU of 7wwz by Molmil
BRD4-BD1 complexed with NEO2734
分子名称: 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
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7XIJ
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Crystal structure of CBP bromodomain liganded with Y08175
分子名称: 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y.
登録日2022-04-13
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
8GJ4
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A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MbtH-like short polypeptide, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-03-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GJP
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A1 Int graft: Adenylation domain 1 core construct from teicoplanin biosynthesis, intermediate selection pocket graft
分子名称: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
著者Hansen, M.H, Cryle, M.J.
登録日2023-03-16
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GKM
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A1 Leu graft + Leu: Adenylation domain 1 core construct from teicoplanin biosynthesis, leucine selection pocket graft; leucine bound
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, LEUCINE, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-03-20
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023

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