3FU6
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![BU of 3fu6 by Molmil](/molmil-images/mine/3fu6) | |
3FUN
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3FTU
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![BU of 3ftu by Molmil](/molmil-images/mine/3ftu) | Leukotriene A4 hydrolase in complex with dihydroresveratrol | Descriptor: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3FTW
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![BU of 3ftw by Molmil](/molmil-images/mine/3ftw) | |
3FUD
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![BU of 3fud by Molmil](/molmil-images/mine/3fud) | |
3FUE
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![BU of 3fue by Molmil](/molmil-images/mine/3fue) | |
3SJG
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![BU of 3sjg by Molmil](/molmil-images/mine/3sjg) | Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid | Descriptor: | (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | Deposit date: | 2011-06-21 | Release date: | 2011-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity. J.Med.Chem., 54, 2011
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2LYL
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![BU of 2lyl by Molmil](/molmil-images/mine/2lyl) | NOE-based 3D structure of the predissociated homodimer of CylR2 in equilibrium with monomer at 266K (-7 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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2LYS
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![BU of 2lys by Molmil](/molmil-images/mine/2lys) | NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees) | Descriptor: | CylR2 | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | Deposit date: | 2012-09-19 | Release date: | 2013-02-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution. Nat.Chem.Biol., 9, 2013
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3LNT
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![BU of 3lnt by Molmil](/molmil-images/mine/3lnt) | |
3NNX
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![BU of 3nnx by Molmil](/molmil-images/mine/3nnx) | Crystal structure of phosphorylated P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNW
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![BU of 3nnw by Molmil](/molmil-images/mine/3nnw) | Crystal structure of P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNV
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![BU of 3nnv by Molmil](/molmil-images/mine/3nnv) | Crystal structure of P38 alpha in complex with DP437 | Descriptor: | 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3WO5
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![BU of 3wo5 by Molmil](/molmil-images/mine/3wo5) | Crystal structure of S147Q of Rv2613c from Mycobacterium tuberculosis | Descriptor: | AP-4-A phosphorylase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Mori, S, Wachino, J, Arakawa, Y, Shibayama, K. | Deposit date: | 2013-12-20 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Role of Ser-147 and Ala-149 in catalytic activity of diadenosine tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv To be Published
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3NNU
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![BU of 3nnu by Molmil](/molmil-images/mine/3nnu) | Crystal structure of P38 alpha in complex with DP1376 | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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1A77
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![BU of 1a77 by Molmil](/molmil-images/mine/1a77) | FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII | Descriptor: | FLAP ENDONUCLEASE-1 PROTEIN, MAGNESIUM ION | Authors: | Hwang, K.Y, Baek, K, Kim, H, Cho, Y. | Deposit date: | 1998-03-20 | Release date: | 1999-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of flap endonuclease-1 from Methanococcus jannaschii. Nat.Struct.Biol., 5, 1998
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1A76
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![BU of 1a76 by Molmil](/molmil-images/mine/1a76) | FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII | Descriptor: | FLAP ENDONUCLEASE-1 PROTEIN, MANGANESE (II) ION | Authors: | Hwang, K.Y, Baek, K, Kim, H, Cho, Y. | Deposit date: | 1998-03-20 | Release date: | 1999-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of flap endonuclease-1 from Methanococcus jannaschii. Nat.Struct.Biol., 5, 1998
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3U5O
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![BU of 3u5o by Molmil](/molmil-images/mine/3u5o) | |
3TKY
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![BU of 3tky by Molmil](/molmil-images/mine/3tky) | Monolignol o-methyltransferase (momt) | Descriptor: | (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bhuiya, M.W, Liu, C.J. | Deposit date: | 2011-08-29 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis. Plant Cell, 24, 2012
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2KX2
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![BU of 2kx2 by Molmil](/molmil-images/mine/2kx2) | |
3U5M
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![BU of 3u5m by Molmil](/molmil-images/mine/3u5m) | |
2Q8A
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![BU of 2q8a by Molmil](/molmil-images/mine/2q8a) | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | Deposit date: | 2007-06-10 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody. PLoS Pathog., 3, 2007
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2Q8B
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![BU of 2q8b by Molmil](/molmil-images/mine/2q8b) | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | Deposit date: | 2007-06-10 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody Plos Pathog., 3, 2007
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3OUI
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![BU of 3oui by Molmil](/molmil-images/mine/3oui) | PHD2-R717 with 40787422 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | Authors: | Arakaki, T.L, Kim, H. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
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2MUR
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![BU of 2mur by Molmil](/molmil-images/mine/2mur) | |