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PDB: 88675 件

7RXW
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Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP)
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, ...
著者Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A.
登録日2021-08-23
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
6VJQ
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Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 2.1
著者Bobeica, S.C, van der Donk, W.A, Zhu, L.
登録日2020-01-16
公開日2020-07-08
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
6Q6P
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Antarctic fish cytoglobin 1 from D.mawsoni
分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C.
登録日2018-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
7RXX
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Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A.
登録日2021-08-23
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
7BJY
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Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280
分子名称: 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Isoform 2 of Bromodomain testis-specific protein
著者Chan, A, Karim, M.R, Schonbrunn, E.
登録日2021-01-14
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
6SMA
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BU of 6sma by Molmil
Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-08-21
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
5LUL
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BU of 5lul by Molmil
Structure of a triple variant of cutinase 2 from Thermobifida cellulosilytica
分子名称: CALCIUM ION, CHLORIDE ION, Cutinase 2
著者Hromic, A, Lyskowski, A, Gruber, K.
登録日2016-09-09
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
7BOC
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Crystal structure of the PRMT5 TIM barrel domain in complex with RioK1 peptide
分子名称: Protein arginine N-methyltransferase 5, peptide
著者Krzyzanowski, A, t Hart, P, Waldmann, H, Gasper, R.
登録日2021-01-25
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Biochemical Investigation of the Interaction of pICln, RioK1 and COPR5 with the PRMT5-MEP50 Complex.
Chembiochem, 22, 2021
6WBX
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Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1
分子名称: CALCIUM ION, DUF3367 domain-containing protein
著者Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
登録日2020-03-27
公開日2020-05-13
最終更新日2020-06-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
6E9W
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Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6SG4
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BU of 6sg4 by Molmil
Structure of CDK2/cyclin A M246Q, S247EN
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A.
登録日2019-08-02
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
5LEK
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BU of 5lek by Molmil
The Transcriptional Regulator PrfA-G145S mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), Listeriolysin regulatory protein
著者Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E.
登録日2016-06-29
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6Y88
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IGPS (Indole-3-glycerol phosphate synthase) from Pseudomonas aeruginosa in complex with substrate inhibitor rCdRP
分子名称: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, CITRIC ACID, GLYCEROL, ...
著者Soderholm, A, Selmer, M.
登録日2020-03-03
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09983444 Å)
主引用文献Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa : Decarboxylation is not essential for indole formation.
J.Biol.Chem., 295, 2020
8G5A
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BU of 8g5a by Molmil
X-31 hemagglutinin in complex with FL-1061 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FL-1086 Fab heavy chain, FL-1086 light chain, ...
著者Windsor, I.W, Thornlow, D, Schmidt, A.G.
登録日2023-02-12
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Antibodies elicited by a hyperglycoslated immunogen
To Be Published
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
5LK3
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Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 500 mM KCL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
著者Guardado-Calvo, P, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6SR3
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X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 62 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
5JMW
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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-04-29
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JNC
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Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide
分子名称: 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
著者Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日2016-04-29
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
4WMG
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BU of 4wmg by Molmil
Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A)
分子名称: Lysozyme C
著者Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M.
登録日2014-10-08
公開日2015-04-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array.
Acta Crystallogr.,Sect.D, 71, 2015
6SRV
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BU of 6srv by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
5LLC
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Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2016-07-27
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
6EBO
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Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
分子名称: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
著者Palowitch, G.M, Alapati, R.B, Boal, A.K.
登録日2018-08-06
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5JNR
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Crystal structure of human low molecular weight protein tyrosine phosphatase (LMPTP) type A
分子名称: Low molecular weight phosphotyrosine protein phosphatase
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
8B2N
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BU of 8b2n by Molmil
Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12
分子名称: CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ...
著者Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T.
登録日2022-09-14
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023

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