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4BA5
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BU of 4ba5 by Molmil
Crystal structure of omega-transaminase from Chromobacterium violaceum
分子名称: 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, AMINOTRANSFERASE, SULFATE ION
著者Sayer, C, Isupov, M.N, Littlechild, J.A.
登録日2012-09-11
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity.
Acta Crystallogr.,Sect.D, 69, 2013
2BML
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BU of 2bml by Molmil
Ofloxacin-like antibiotics inhibit pneumococcal cell wall degrading virulence factors
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AUTOLYSIN, DEXTROFLOXACINE, ...
著者Fernandez-Tornero, C, Gimenez-Gallego, G, Romero, A, Garcia, E, Pascual-Teresa, B.D, Lopez, R.
登録日2005-03-15
公開日2005-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ofloxacin-Like Antibiotics Inhibit Pneumococcal Cell Wall-Degrading Virulence Factors
J.Biol.Chem., 280, 2005
4B98
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BU of 4b98 by Molmil
The structure of the omega aminotransferase from Pseudomonas aeruginosa
分子名称: 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, BETA-ALANINE--PYRUVATE TRANSAMINASE, CALCIUM ION, ...
著者Sayer, C, Isupov, M.N, Westlake, A, Littlechild, J.A.
登録日2012-09-03
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity.
Acta Crystallogr.,Sect.D, 69, 2013
2BNQ
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BU of 2bnq by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
著者Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
登録日2005-03-31
公開日2005-05-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
2BV1
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BU of 2bv1 by Molmil
Regulator of G-protein Signalling 1 (Human)
分子名称: REGULATOR OF G-PROTEIN SIGNALLING 1
著者Elkins, J.M, Yang, X, Soundararajan, M, Schoch, G.A, Haroniti, A, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
登録日2005-06-20
公開日2005-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc. Natl. Acad. Sci. U.S.A., 105, 2008
2C3I
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BU of 2c3i by Molmil
CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I
分子名称: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1
著者Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J.
登録日2005-10-07
公開日2005-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
5HXZ
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BU of 5hxz by Molmil
Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ...
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-01-31
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
2BT2
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BU of 2bt2 by Molmil
Structure of the regulator of G-protein signaling 16
分子名称: REGULATOR OF G-PROTEIN SIGNALING 16
著者Bunkoczi, G, Haroniti, A, Longman, E, Niesen, F, Soundararajan, M, Ball, L.J, von Delft, F, Doyle, D.A, Arrowsmith, C, Edwards, A, Sundstrom, M.
登録日2005-05-25
公開日2005-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Diversity in the Rgs Domain and its Interaction with Heterotrimeric G Protein Alpha- Subunits.
Proc.Natl.Acad.Sci.USA, 105, 2008
4CEL
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BU of 4cel by Molmil
ACTIVE-SITE MUTANT D214N DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE
分子名称: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION
著者Divne, C, Stahlberg, J, Jones, T.A.
登録日1996-08-24
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
6A28
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BU of 6a28 by Molmil
Crystal structure of PprA W183R mutant form 2
分子名称: DNA repair protein PprA, SULFATE ION
著者Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R.
登録日2018-06-09
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans.
FASEB J., 33, 2019
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
分子名称: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.0201 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5ICA
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BU of 5ica by Molmil
Structure of the CTD complex of UTP12, Utp13, Utp1 and Utp21
分子名称: Periodic tryptophan protein 2-like protein, Putative U3 snoRNP protein, Putative uncharacterized protein
著者Zhang, C, Ye, K.
登録日2016-02-23
公開日2016-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.507 Å)
主引用文献Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
6AIB
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BU of 6aib by Molmil
Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA
分子名称: DEAD-box ATP-dependent RNA helicase CshA
著者Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z.
登録日2018-08-22
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
分子名称: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
分子名称: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
分子名称: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
4KO2
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BU of 4ko2 by Molmil
Low X-ray dose structure of H2-activated anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air
分子名称: CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, GLYCEROL, ...
著者Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C.
登録日2013-05-11
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem. Commun. (Camb.), 49, 2013
4KIW
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BU of 4kiw by Molmil
Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid]
分子名称: 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
分子名称: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
著者Dong, C, Yan, X, Li, Y.
登録日2022-08-01
公開日2023-04-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
4K4F
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BU of 4k4f by Molmil
Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide]
分子名称: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H.
登録日2013-04-12
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
6JPM
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BU of 6jpm by Molmil
Crystal Structure of Odorant Binding Protein 4 in the Natural Predator Chrysopa pallens
分子名称: Odorant binding protein 4
著者Li, T.T, Ma, C.
登録日2019-03-27
公開日2019-10-16
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Crystal structure and ligand identification of odorant binding protein 4 in the natural predator Chrysopa pallens.
Int.J.Biol.Macromol., 141, 2019
4KQY
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BU of 4kqy by Molmil
Bacillus subtilis yitJ S box/SAM-I riboswitch
分子名称: MAGNESIUM ION, S-ADENOSYLMETHIONINE, YitJ S box/SAM-I riboswitch
著者Lu, C.
登録日2013-05-15
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献SAM recognition and conformational switching mechanism in the Bacillus subtilis yitJ S box/SAM-I riboswitch
J.Mol.Biol., 404, 2010
4KR3
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BU of 4kr3 by Molmil
Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly
分子名称: GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ...
著者Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
登録日2013-05-16
公開日2014-05-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.235 Å)
主引用文献Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
4KT8
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The complex structure of Rv3378c-Y51FY90F with substrate, TPP
分子名称: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION
著者Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T.
登録日2013-05-20
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014

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