3FUR
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![BU of 3fur by Molmil](/molmil-images/mine/3fur) | Crystal Structure of PPARg in complex with INT131 | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | Authors: | Wang, Z, Liu, J, Walker, N. | Deposit date: | 2009-01-14 | Release date: | 2009-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | INT131: a selective modulator of PPAR gamma. J.Mol.Biol., 386, 2009
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1MYN
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![BU of 1myn by Molmil](/molmil-images/mine/1myn) | SOLUTION STRUCTURE OF DROSOMYCIN, THE FIRST INDUCIBLE ANTIFUNGAL PROTEIN FROM INSECTS, NMR, 15 STRUCTURES | Descriptor: | DROSOMYCIN | Authors: | Landon, C, Sodano, P, Hetru, C, Hoffmann, J.A, Ptak, M. | Deposit date: | 1996-12-26 | Release date: | 1997-12-31 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of drosomycin, the first inducible antifungal protein from insects. Protein Sci., 6, 1997
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1XUR
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![BU of 1xur by Molmil](/molmil-images/mine/1xur) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ... | Authors: | Engel, C.K, Wendt, K.U. | Deposit date: | 2004-10-26 | Release date: | 2005-10-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13. Chem.Biol., 12, 2005
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6XKQ
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![BU of 6xkq by Molmil](/molmil-images/mine/6xkq) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ... | Authors: | Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
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6XE4
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![BU of 6xe4 by Molmil](/molmil-images/mine/6xe4) | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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1ZEL
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![BU of 1zel by Molmil](/molmil-images/mine/1zel) | Crystal structure of RV2827C protein from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, FORMIC ACID, ... | Authors: | Janowski, R, Panjikar, S, Mueller-dieckmann, J, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-04-19 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural analysis reveals DNA binding properties of Rv2827c, a hypothetical protein from Mycobacterium tuberculosis. J Struct Funct Genomics, 10, 2009
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6XKP
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![BU of 6xkp by Molmil](/molmil-images/mine/6xkp) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
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6HKQ
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![BU of 6hkq by Molmil](/molmil-images/mine/6hkq) | Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer) | Descriptor: | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, L, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S. | Deposit date: | 2018-09-07 | Release date: | 2020-04-01 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162. Acta Crystallogr D Struct Biol, 77, 2021
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3OCZ
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![BU of 3ocz by Molmil](/molmil-images/mine/3ocz) | Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate | Descriptor: | ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | Deposit date: | 2010-08-10 | Release date: | 2011-07-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate. Febs J., 278, 2011
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3ONL
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![BU of 3onl by Molmil](/molmil-images/mine/3onl) | yeast Ent3_ENTH-Vti1p_Habc complex structure | Descriptor: | Epsin-3, t-SNARE VTI1 | Authors: | Wang, J, Fang, P, Niu, L, Teng, M. | Deposit date: | 2010-08-29 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Epsin N-terminal homology domains bind on opposite sides of two SNAREs Proc.Natl.Acad.Sci.USA, 108, 2011
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3ONK
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![BU of 3onk by Molmil](/molmil-images/mine/3onk) | yeast Ent3_ENTH domain | Descriptor: | Epsin-3 | Authors: | Wang, J, Fang, P, Niu, L, Teng, M. | Deposit date: | 2010-08-29 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Epsin N-terminal homology domains bind on opposite sides of two SNAREs Proc.Natl.Acad.Sci.USA, 108, 2011
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3ONJ
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![BU of 3onj by Molmil](/molmil-images/mine/3onj) | |
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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5JG0
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![BU of 5jg0 by Molmil](/molmil-images/mine/5jg0) | Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191 | Descriptor: | 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Anderson, A.C, Reeve, S.M. | Deposit date: | 2016-04-19 | Release date: | 2017-04-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates. Cell Chem Biol, 23, 2016
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2OB1
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![BU of 2ob1 by Molmil](/molmil-images/mine/2ob1) | ppm1 with 1,8-ANS | Descriptor: | Leucine carboxyl methyltransferase 1, PHOSPHATE ION | Authors: | Groves, M.R. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye. Acta Crystallogr.,Sect.D, 63, 2007
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6YBQ
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![BU of 6ybq by Molmil](/molmil-images/mine/6ybq) | Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | Deposit date: | 2020-03-17 | Release date: | 2020-10-28 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (1.96 Å) | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation Nat Catal, 2021
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6YBP
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![BU of 6ybp by Molmil](/molmil-images/mine/6ybp) | Propionyl-CoA carboxylase of Methylorubrum extorquens with bound CoA | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | Deposit date: | 2020-03-17 | Release date: | 2020-10-28 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation Nat Catal, 2021
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3BEC
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![BU of 3bec by Molmil](/molmil-images/mine/3bec) | |
2OXI
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![BU of 2oxi by Molmil](/molmil-images/mine/2oxi) | |
1QUR
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![BU of 1qur by Molmil](/molmil-images/mine/1qur) | |
7FZP
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![BU of 7fzp by Molmil](/molmil-images/mine/7fzp) | Crystal Structure of human FABP4 in complex with 6-[(4-chlorophenyl)methylsulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one | Descriptor: | 6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Wichmann, J, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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6I2U
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![BU of 6i2u by Molmil](/molmil-images/mine/6i2u) | |
3ED8
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![BU of 3ed8 by Molmil](/molmil-images/mine/3ed8) | |
6EPM
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![BU of 6epm by Molmil](/molmil-images/mine/6epm) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 | Descriptor: | (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine, GLYCEROL, GTPase KRas, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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