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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)
Descriptor: (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, ...
Authors:Sheriff, S, Klei, H.E.
Deposit date:2006-02-05
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Ostermann, N.
Deposit date:2014-12-18
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: HTH-TYPE TRANSCRIPTIONAL REPRESSOR YVOA, SULFATE ION
Authors:Resch, M, Schiltz, E, Titgemeyer, F, Muller, Y.A.
Deposit date:2009-10-12
Release date:2010-01-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL
Authors: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.
Deposit date:2011-12-16
Release date:2012-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: Protein TolR, SODIUM ION
Authors:Wojdyla, J.A, Kaminska, R, Kleanthous, C.
Deposit date:2015-06-10
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite: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.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ...
Authors: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.
Deposit date:2007-04-21
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Aminotransferase, GLYCEROL, ...
Authors:Boyko, K.M, Nikolaeva, A.Y, Bezsudnova, E.Y, Stekhanova, T.N, Rakitina, T.V, Popov, V.O.
Deposit date:2017-10-18
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Defective proboscis extension response 10, isoform A, ...
Authors:Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E.
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: RoAb13 Fab Heavy chain, RoAb13 Fab Light chain
Authors:Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CALCIUM ION, Protocadherin-15, SODIUM ION
Authors:Choudhary, D, Tamilselvan, E, Sotomayor, M.
Deposit date:2018-07-29
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.99 Å)
Cite: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
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G.
Deposit date:2009-09-03
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: uncharacterized protein lp_1913
Authors: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)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: FLAVIN MONONUCLEOTIDE, Protein NrdI
Authors:Palowitch, G.M, Alapati, R.B, Boal, A.K.
Deposit date:2018-08-06
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: GLUTATHIONE, Glutathione S-transferase A1
Authors:Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: 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, ...
Authors:Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E.
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION
Authors:Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
Deposit date:2018-08-16
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
Authors:Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C.
Deposit date:2009-09-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tavolieri, A.M, Askenasy, I, Murray, D.T, Pennington, J.M, Stroupe, M.E.
Deposit date:2018-08-17
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.341 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, Uncharacterized protein, ...
Authors:Nocek, B, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-04-19
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: CALCIUM ION, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
Deposit date:2014-11-06
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Protein TIFY 7, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
Deposit date:2014-11-07
Release date:2015-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: (6S)-6,8-disulfanyloctanamide, CHLORIDE ION, Organic hydroperoxide resistance protein
Authors:Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
Deposit date:2018-08-06
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020

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