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1Q18
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BU of 1q18 by Molmil
Crystal structure of E.coli glucokinase (Glk)
Descriptor: Glucokinase
Authors:Lunin, V.V, Li, Y, Schrag, J.D, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2003-07-18
Release date:2004-07-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of Escherichia coli ATP-dependent glucokinase and its complex with glucose.
J.Bacteriol., 186, 2004
1PW6
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BU of 1pw6 by Molmil
Low Micromolar Small Molecule Inhibitor of IL-2
Descriptor: 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION
Authors:Thanos, C.D, Randal, M, Wells, J.A.
Deposit date:2003-06-30
Release date:2004-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
1PY2
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BU of 1py2 by Molmil
Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2
Descriptor: 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION
Authors:Thanos, C.D, Randal, M, Wells, J.A.
Deposit date:2003-07-07
Release date:2004-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
1SZ2
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BU of 1sz2 by Molmil
Crystal structure of E. coli glucokinase in complex with glucose
Descriptor: Glucokinase, beta-D-glucopyranose
Authors:Lunin, V.V, Li, Y, Schrag, J.D, Iannuzzi, P, Matte, A, Cygler, M.
Deposit date:2004-04-02
Release date:2004-11-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Escherichia coli ATP-dependent glucokinase and its complex with glucose
J.Bacteriol., 186, 2004
3CDO
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BU of 3cdo by Molmil
Bacteriophage T4 lysozyme mutant R96V in wildtype background at low temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, HEXANE-1,6-DIOL, Lysozyme, ...
Authors:Mooers, B.H.M.
Deposit date:2008-02-27
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
3CH3
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BU of 3ch3 by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum
Descriptor: DIHYDROGENPHOSPHATE ION, POTASSIUM ION, Serine-repeat antigen protein
Authors:Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
Deposit date:2008-03-07
Release date:2008-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
3D7P
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BU of 3d7p by Molmil
Crystal structure of human Transthyretin (TTR) at pH 4.0
Descriptor: Transthyretin
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
5F21
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BU of 5f21 by Molmil
human CD38 in complex with nanobody MU375
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, GLYCEROL, SULFATE ION, ...
Authors:Hao, Q, Zhang, H.
Deposit date:2015-12-01
Release date:2016-06-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1K
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BU of 5f1k by Molmil
human CD38 in complex with nanobody MU1053
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053
Authors:Zhang, H, Hao, Q.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
5F1O
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BU of 5f1o by Molmil
human CD38 in complex with nanobody MU551
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551
Authors:Zhang, H, Hao, Q.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
8W0Q
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BU of 8w0q by Molmil
Pembrolizumab CDR-H3 Loop Mimic
Descriptor: Pembrolizumab CDR-H3 Loop Mimic
Authors:Feig, M, Roche, S.P.
Deposit date:2024-02-14
Release date:2024-07-03
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics.
Acs Chem.Biol., 19, 2024
1MZ4
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BU of 1mz4 by Molmil
Crystal Structure of Cytochrome c550 from Thermosynechococcus elongatus
Descriptor: BICARBONATE ION, GLYCEROL, HEME C, ...
Authors:Kerfeld, C.A, Sawaya, M.R, Bottin, H, Tran, K.T, Sugiura, M, Kirilovsky, D, Krogmann, D, Yeates, T.O, Boussac, A.
Deposit date:2002-10-05
Release date:2003-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and EPR characterization of the soluble form of cytochrome c-550 and of the psbV2 gene product from the cyanobacterium Thermosynechococcus elongatus.
Plant Cell.Physiol., 44, 2003
5DMQ
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BU of 5dmq by Molmil
Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus
Descriptor: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
Authors:Tang, T, Song, H.
Deposit date:2015-09-09
Release date:2016-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
9EOQ
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BU of 9eoq by Molmil
Cryo-EM Structure of a 1033 Scaffold Base DNA Origami Nanostructure V4 and TBA
Descriptor: DNA (42-MER), DNA (5'-D(P*AP*TP*AP*TP*AP*GP*CP*GP*TP*GP*GP*AP*AP*GP*T)-3')
Authors:Ali, K, Georg, K, Volodymyr, M, Johanna, G, Maximilian, N.H, Lukas, K, Simone, C, Hendrik, D.
Deposit date:2024-03-15
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Designing Rigid DNA Origami Templates for Molecular Visualization Using Cryo-EM.
Nano Lett., 24, 2024
4EZV
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BU of 4ezv by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212
Descriptor: Chaperone protein DnaK, Proline rich bombesin-related protein
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of DnaK in complex with proline rich antimicrobial peptides reveal two different peptide binding modes
To be Published
8VCZ
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BU of 8vcz by Molmil
Crystal Structure of KAI2 from Oryza sativa
Descriptor: Probable esterase D14L
Authors:Gilio, A.K, Shabek, N, Guercio, A.M, Pawlak, J.
Deposit date:2023-12-14
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural insights into rice KAI2 receptor provide functional implications for perception and signal transduction.
J.Biol.Chem., 300, 2024
8VD3
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BU of 8vd3 by Molmil
Crystal Structure of D14 from Arabidopsis thaliana
Descriptor: Strigolactone esterase D14
Authors:Gilio, A.K, Shabek, N, Guercio, A.M, Pawlak, J.
Deposit date:2023-12-14
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into rice KAI2 receptor provide functional implications for perception and signal transduction.
J.Biol.Chem., 300, 2024
8VD1
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BU of 8vd1 by Molmil
Crystal Structure of KAI2 from Oryza sativa with MPD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Probable esterase D14L
Authors:Gilio, A.K, Shabek, N, Guercio, A.M, Pawlak, J.
Deposit date:2023-12-14
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural insights into rice KAI2 receptor provide functional implications for perception and signal transduction.
J.Biol.Chem., 300, 2024
5G5D
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BU of 5g5d by Molmil
Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum
Descriptor: CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION
Authors:Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A.
Deposit date:2016-05-23
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Diverse specificity of cellulosome attachment to the bacterial cell surface.
Sci Rep, 6, 2016
4EZU
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BU of 4ezu by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222
Descriptor: Chaperone protein DnaK, Proline rich bombesin-related protein
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of DnaK in complex with proline rich antimicrobial peptides reveal two different peptide binding modes
To be Published
3LGU
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BU of 3lgu by Molmil
Y162A mutant of the DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
3LGT
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BU of 3lgt by Molmil
Y162A/H198P double mutant of DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
2IVY
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BU of 2ivy by Molmil
Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2
Descriptor: HYPOTHETICAL PROTEIN SSO1404
Authors:Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H.
Deposit date:2006-06-22
Release date:2006-06-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010

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