7C1O
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7BKF
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5O3E
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![BU of 5o3e by Molmil](/molmil-images/mine/5o3e) | Human Brd2(BD2) mutant in complex with Me-Am1 | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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4D32
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![BU of 4d32 by Molmil](/molmil-images/mine/4d32) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine | Descriptor: | 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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7KE5
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![BU of 7ke5 by Molmil](/molmil-images/mine/7ke5) | Heavy chain ferritin with N-terminal EBNA1 epitope | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Epstein-Barr nuclear antigen 1,Ferritin heavy chain, FE (III) ION | Authors: | Pederick, J.P, Bruning, J.B. | Deposit date: | 2020-10-10 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope. Vaccine, 39, 2021
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7KE3
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![BU of 7ke3 by Molmil](/molmil-images/mine/7ke3) | Heavy chain ferritin with C-terminal EBNA1 epitope | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1 | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2020-10-10 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope. Vaccine, 39, 2021
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2C2B
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![BU of 2c2b by Molmil](/molmil-images/mine/2c2b) | Crystallographic structure of Arabidopsis thaliana Threonine synthase complexed with pyridoxal phosphate and S-adenosylmethionine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, S-ADENOSYLMETHIONINE, ... | Authors: | Mas-Droux, C, Biou, V, Dumas, R. | Deposit date: | 2005-09-27 | Release date: | 2005-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site. J.Biol.Chem., 281, 2006
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2BXW
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![BU of 2bxw by Molmil](/molmil-images/mine/2bxw) | CRYSTAL STRUCTURE OF RHOGDI Lys(135,138,141)Tyr MUTANT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Sikorska, M, Cooper, D.R, Otlewski, J, Derewenda, Z.S. | Deposit date: | 2005-07-27 | Release date: | 2005-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protein Crystallization by Surface Entropy Reduction: Optimization of the Ser Strategy Acta Crystallogr.,Sect.D, 63, 2007
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2E86
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7AVH
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![BU of 7avh by Molmil](/molmil-images/mine/7avh) | Streptococcal High Identity Repeats in Tandem (SHIRT) domains 3-4 from cell surface protein SGO_0707 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LPXTG cell wall surface protein | Authors: | Whelan, F, Jenkins, H.T, Potts, J.R. | Deposit date: | 2020-11-05 | Release date: | 2021-06-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Periscope Proteins are variable-length regulators of bacterial cell surface interactions. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CCE
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5O3H
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![BU of 5o3h by Molmil](/molmil-images/mine/5o3h) | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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7LPO
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![BU of 7lpo by Molmil](/molmil-images/mine/7lpo) | Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytoplasmic protein, MAGNESIUM ION | Authors: | Pereira de Sa, N, Del Poeta, M, Airola, M.V. | Deposit date: | 2021-02-12 | Release date: | 2021-09-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents. Nat Commun, 12, 2021
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3HR9
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![BU of 3hr9 by Molmil](/molmil-images/mine/3hr9) | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase F40I mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Beta-glucanase, ... | Authors: | Tsai, L.C, Huang, H.C, Hsiao, C.H. | Deposit date: | 2009-06-09 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase mutant F40I To be Published
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4AJP
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![BU of 4ajp by Molmil](/molmil-images/mine/4ajp) | Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | Descriptor: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ... | Authors: | Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJN
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![BU of 4ajn by Molmil](/molmil-images/mine/4ajn) | rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid | Descriptor: | (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJO
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![BU of 4ajo by Molmil](/molmil-images/mine/4ajo) | rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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1ZJD
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![BU of 1zjd by Molmil](/molmil-images/mine/1zjd) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II | Descriptor: | Catalytic Domain of Coagulation Factor XI, Kunitz Protease Inhibitory Domain of Protease Nexin II | Authors: | Jin, L, Navaneetham, D, Pandey, P, Strickler, J.E, Babine, R.E, Walsh, P.N, Abdel-Meguid, S.S. | Deposit date: | 2005-04-28 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Mutational Analyses of the Molecular Interactions between the Catalytic Domain of Factor XIa and the Kunitz Protease Inhibitor Domain of Protease Nexin 2 J.Biol.Chem., 280, 2005
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5DH4
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![BU of 5dh4 by Molmil](/molmil-images/mine/5dh4) | PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-08-29 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg.Med.Chem.Lett., 26, 2016
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7AL1
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![BU of 7al1 by Molmil](/molmil-images/mine/7al1) | Cell division protein SepF from Methanobrevibacter smithii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein SepF | Authors: | Sogues, A, wehenkel, A.M, Alzari, P.M. | Deposit date: | 2020-10-04 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system. Nat Commun, 12, 2021
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7MRU
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![BU of 7mru by Molmil](/molmil-images/mine/7mru) | Crystal structure of S62A MIF2 mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-dopachrome decarboxylase | Authors: | Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E. | Deposit date: | 2021-05-09 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase. J.Biol.Chem., 297, 2021
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7CNL
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![BU of 7cnl by Molmil](/molmil-images/mine/7cnl) | Crystal structure of TEAD3 in complex with VT105 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide, ... | Authors: | Tang, T.T, Konradi, A.W. | Deposit date: | 2020-08-01 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma. Mol.Cancer Ther., 20, 2021
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7MJX
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![BU of 7mjx by Molmil](/molmil-images/mine/7mjx) | MiaB in the complex with 5'-deoxyadenosine, methionine and RNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, FE3-S4 CLUSTER, ... | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. | Deposit date: | 2021-04-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Nature, 597, 2021
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2B8T
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![BU of 2b8t by Molmil](/molmil-images/mine/2b8t) | Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, THYMIDINE, Thymidine kinase, ... | Authors: | Kosinska, U, Carnrot, C, Eriksson, S, Wang, L, Eklund, H. | Deposit date: | 2005-10-10 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the substrate complex of thymidine kinase from Ureaplasma urealyticum and investigations of possible drug targets for the enzyme FEBS Lett., 272, 2005
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1CBW
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![BU of 1cbw by Molmil](/molmil-images/mine/1cbw) | BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI | Descriptor: | BOVINE CHYMOTRYPSIN, BPTI, SULFATE ION | Authors: | Hynes, T.R, Scheidig, A.J, Kossiakoff, A.A. | Deposit date: | 1996-12-22 | Release date: | 1997-07-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities. Protein Sci., 6, 1997
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