8AG2
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![BU of 8ag2 by Molmil](/molmil-images/mine/8ag2) | Crystal structure of the BPTF bromodomain in complex with BI-7190 | Descriptor: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2022-07-19 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.025 Å) | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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1MPA
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![BU of 1mpa by Molmil](/molmil-images/mine/1mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, MN12H2 IGG2A-KAPPA, PORA P1.16 PEPTIDE FLUORESCEIN CONJUGATE | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1997-02-26 | Release date: | 1997-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
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6RJ5
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![BU of 6rj5 by Molmil](/molmil-images/mine/6rj5) | Crystal structure of PHGDH in complex with compound 39 | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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8AHC
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![BU of 8ahc by Molmil](/molmil-images/mine/8ahc) | Crystal structure of the BRD9 bromodomain with BI-7189 | Descriptor: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | Authors: | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | Deposit date: | 2022-07-21 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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1AY3
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![BU of 1ay3 by Molmil](/molmil-images/mine/1ay3) | Nodularin from Nodularia spumigena | Descriptor: | PEPTIDIC TOXIN NODULARIN | Authors: | Annila, A.J. | Deposit date: | 1997-11-14 | Release date: | 1999-08-16 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Solution structure of nodularin. An inhibitor of serine/threonine-specific protein phosphatases. J.Biol.Chem., 271, 1996
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7ACF
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![BU of 7acf by Molmil](/molmil-images/mine/7acf) | CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D. | Deposit date: | 2020-09-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers. Proc. Natl. Acad. Sci. U.S.A., 117, 2020
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1HBK
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![BU of 1hbk by Molmil](/molmil-images/mine/1hbk) | Acyl-CoA binding protein from Plasmodium falciparum | Descriptor: | ACYL-COA BINDING PROTEIN, COENZYME A, MYRISTIC ACID, ... | Authors: | van Aalten, D.M.F. | Deposit date: | 2001-04-16 | Release date: | 2001-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein. J. Mol. Biol., 309, 2001
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2BET
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![BU of 2bet by Molmil](/molmil-images/mine/2bet) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronate. | Descriptor: | 4-PHOSPHO-D-ERYTHRONATE, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism J.Biol.Chem., 280, 2005
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2BES
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![BU of 2bes by Molmil](/molmil-images/mine/2bes) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid. | Descriptor: | 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism. J.Biol.Chem., 280, 2005
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6GJ5
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![BU of 6gj5 by Molmil](/molmil-images/mine/6gj5) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ7
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![BU of 6gj7 by Molmil](/molmil-images/mine/6gj7) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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6TJ7
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![BU of 6tj7 by Molmil](/molmil-images/mine/6tj7) | T. gondii myosin A trimeric complex | Descriptor: | 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pazicky, S, Loew, C. | Deposit date: | 2019-11-25 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural role of essential light chains in the apicomplexan glideosome. Commun Biol, 3, 2020
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6GJ6
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![BU of 6gj6 by Molmil](/molmil-images/mine/6gj6) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ8
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![BU of 6gj8 by Molmil](/molmil-images/mine/6gj8) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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6TJ6
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![BU of 6tj6 by Molmil](/molmil-images/mine/6tj6) | |
2JNW
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![BU of 2jnw by Molmil](/molmil-images/mine/2jnw) | Solution structure of a ERCC1-XPA heterodimer | Descriptor: | DNA excision repair protein ERCC-1, DNA-repair protein complementing XP-A cells | Authors: | Tsodikov, O.V, Ivanov, D, Orelli, B, Staresincic, L, Scharer, O.D, Wagner, G. | Deposit date: | 2007-02-07 | Release date: | 2007-10-30 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structural basis for the recruitment of ERCC1-XPF to nucleotide excision repair complexes by XPA Embo J., 26, 2007
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7LT6
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![BU of 7lt6 by Molmil](/molmil-images/mine/7lt6) | Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein | Authors: | Appleton, B.A. | Deposit date: | 2021-02-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis. Sci Adv, 7, 2021
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7LSW
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![BU of 7lsw by Molmil](/molmil-images/mine/7lsw) | Structure of Full Beta-Hairpin LIR from FNIP2 Bound to GABARAP | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION | Authors: | Appleton, B.A. | Deposit date: | 2021-02-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis. Sci Adv, 7, 2021
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2MPA
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![BU of 2mpa by Molmil](/molmil-images/mine/2mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, CONJUGATE OF PORA P1.16 PEPTIDE WITH FLUORESCEIN, MN12H2 IGG2A-KAPPA, ... | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1999-06-09 | Release date: | 1999-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
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1Z1L
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![BU of 1z1l by Molmil](/molmil-images/mine/1z1l) | The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | Authors: | Ding, Y.H, Kohls, D, Low, C. | Deposit date: | 2005-03-04 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System. Biochemistry, 44, 2005
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3GRX
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![BU of 3grx by Molmil](/molmil-images/mine/3grx) | NMR STRUCTURE OF ESCHERICHIA COLI GLUTAREDOXIN 3-GLUTATHIONE MIXED DISULFIDE COMPLEX, 20 STRUCTURES | Descriptor: | GLUTAREDOXIN 3, GLUTATHIONE | Authors: | Nordstrand, K, Aslund, F, Holmgren, A, Otting, G, Berndt, K.D. | Deposit date: | 1998-08-17 | Release date: | 1999-03-30 | Last modified: | 2018-03-14 | Method: | SOLUTION NMR | Cite: | NMR structure of Escherichia coli glutaredoxin 3-glutathione mixed disulfide complex: implications for the enzymatic mechanism. J.Mol.Biol., 286, 1999
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3VOZ
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![BU of 3voz by Molmil](/molmil-images/mine/3voz) | Crystal structure of human glutaminase in complex with BPTES | Descriptor: | Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VOY
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![BU of 3voy by Molmil](/molmil-images/mine/3voy) | Crystal structure of human glutaminase in apo form | Descriptor: | Glutaminase kidney isoform, mitochondrial, SULFATE ION | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP3
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![BU of 3vp3 by Molmil](/molmil-images/mine/3vp3) | Crystal structure of human glutaminase in complex with inhibitor 3 | Descriptor: | 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ... | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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3VP4
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![BU of 3vp4 by Molmil](/molmil-images/mine/3vp4) | Crystal structure of human glutaminase in complex with inhibitor 4 | Descriptor: | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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