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2FXE
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BU of 2fxe by Molmil
X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632)
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
著者Sheriff, S, Klei, H.E.
登録日2006-02-05
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
4RZ1
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BU of 4rz1 by Molmil
RENIN IN COMPLEXED WITH (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate INHIBITOR
分子名称: (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Ostermann, N.
登録日2014-12-18
公開日2015-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献trans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: Prime site exploration using an oxygen linker.
Bioorg.Med.Chem.Lett., 25, 2015
2WV0
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BU of 2wv0 by Molmil
Crystal structure of the GntR-HutC family member YvoA from Bacillus subtilis
分子名称: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA, SULFATE ION
著者Resch, M, Schiltz, E, Titgemeyer, F, Muller, Y.A.
登録日2009-10-12
公開日2010-01-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insight Into the Induction Mechanism of the Gntr/Hutc Bacterial Transcription Regulator Yvoa
Nucleic Acids Res., 38, 2010
4ACM
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BU of 4acm by Molmil
CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL
著者Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y.
登録日2011-12-16
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
5BY4
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BU of 5by4 by Molmil
Structure and function of the Escherichia coli Tol-Pal stator protein TolR
分子名称: Protein TolR, SODIUM ION
著者Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-06-10
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure and Function of the Escherichia coli Tol-Pal Stator Protein TolR.
J.Biol.Chem., 290, 2015
2PMD
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BU of 2pmd by Molmil
The structures of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the GDP-bound form.
分子名称: GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ...
著者Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V.
登録日2007-04-21
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
6ERK
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BU of 6erk by Molmil
Crystal structure of diaminopelargonic acid aminotransferase from Psychrobacter cryohalolentis
分子名称: 1,2-ETHANEDIOL, Aminotransferase, GLYCEROL, ...
著者Boyko, K.M, Nikolaeva, A.Y, Bezsudnova, E.Y, Stekhanova, T.N, Rakitina, T.V, Popov, V.O.
登録日2017-10-18
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diaminopelargonic acid transaminase from Psychrobacter cryohalolentis is active towards (S)-(-)-1-phenylethylamine, aldehydes and alpha-diketones.
Appl. Microbiol. Biotechnol., 102, 2018
6NRQ
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BU of 6nrq by Molmil
Crystal structure of Dpr10 IG1 bound to DIP-alpha IG1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Defective proboscis extension response 10, isoform A, ...
著者Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E.
登録日2019-01-24
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila.
Elife, 8, 2019
4S2S
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BU of 4s2s by Molmil
Crystal Structure of Fab fragment of monoclonal antibody RoAb13
分子名称: RoAb13 Fab Heavy chain, RoAb13 Fab Light chain
著者Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E.
登録日2015-01-22
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Linear Epitope in the N-Terminal Domain of CCR5 and Its Interaction with Antibody.
Plos One, 10, 2015
6E8F
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BU of 6e8f by Molmil
Crystal Structure of Human Protocadherin-15 EC3-5 CD2-1
分子名称: CALCIUM ION, Protocadherin-15, SODIUM ION
著者Choudhary, D, Tamilselvan, E, Sotomayor, M.
登録日2018-07-29
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
2WS7
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BU of 2ws7 by Molmil
Semi-synthetic analogue of human insulin ProB26-DTI
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G.
登録日2009-09-03
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues.
Proc.Natl.Acad.Sci.USA, 107, 2010
4EOO
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BU of 4eoo by Molmil
Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
登録日2012-04-14
公開日2013-02-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
2G27
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BU of 2g27 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
分子名称: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin
著者Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
登録日2006-02-15
公開日2006-06-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
3I3U
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BU of 3i3u by Molmil
Crystal structure of lp_1913 protein from lactobacillus plantarum, northeast structural genomics Consortium target lpr140a
分子名称: uncharacterized protein lp_1913
著者Seetharaman, J, Chen, Y, Forouhar, F, Sahdev, S, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-30
公開日2009-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of lp_1913 protein from lactobacillus plantarum, northeast structural genomics Consortium target lpr140a
To be Published
6EBQ
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BU of 6ebq by Molmil
Crystal Structure of the Flavoprotein NrdI from Aerococcus urinae in Oxidized Form
分子名称: FLAVIN MONONUCLEOTIDE, Protein NrdI
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 (1.95 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
3I69
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BU of 3i69 by Molmil
Apo Glutathione Transferase A1-1 GIMF-helix mutant
分子名称: GLUTATHIONE, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
登録日2009-07-06
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
6NRW
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BU of 6nrw by Molmil
Crystal structure of Dpr1 IG1 bound to DIP-eta IG1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E.
登録日2019-01-24
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila.
Elife, 8, 2019
6EFK
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BU of 6efk by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide
分子名称: ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION
著者Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
登録日2018-08-16
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
3JVT
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BU of 3jvt by Molmil
Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains
分子名称: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
著者Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
登録日2009-09-17
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The on-off switch in regulated myosins: different triggers but related mechanisms.
J.Mol.Biol., 394, 2009
6EFV
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BU of 6efv by Molmil
The NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation that is unique to this diflavin reductase
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tavolieri, A.M, Askenasy, I, Murray, D.T, Pennington, J.M, Stroupe, M.E.
登録日2018-08-17
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation unique to this diflavin reductase.
J. Struct. Biol., 205, 2019
2PLI
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BU of 2pli by Molmil
Crystal structure of putative Mg2+ and Co2+ transporter(CorC)associated region from Neisseria meningitidis MC58
分子名称: ACETATE ION, GLYCEROL, Uncharacterized protein, ...
著者Nocek, B, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-04-19
公開日2007-05-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of putative Mg2+ and Co2+ transporter(CorC)associated region from Neisseria meningitidis MC58.
To be Published
4RRU
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BU of 4rru by Molmil
Myc3 N-terminal JAZ-binding domain[5-242] from arabidopsis
分子名称: CALCIUM ION, Transcription factor MYC3
著者Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
登録日2014-11-06
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
4RS9
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BU of 4rs9 by Molmil
Structure of Myc3 N-terminal JAZ-binding domain [44-238] in complex with Jas motif of JAZ9
分子名称: Protein TIFY 7, Transcription factor MYC3
著者Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
登録日2014-11-07
公開日2015-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
2G5P
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BU of 2g5p by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac
分子名称: 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4
著者Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
登録日2006-02-23
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
6EBD
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BU of 6ebd by Molmil
OhrB (Organic Hydroperoxide Resistance protein) mutant (C60A) from Chromobacterium violaceum, interacting with dihydrolipoamide
分子名称: (6S)-6,8-disulfanyloctanamide, CHLORIDE ION, Organic hydroperoxide resistance protein
著者Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
登録日2018-08-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020

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