7B85
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![BU of 7b85 by Molmil](/molmil-images/mine/7b85) | Crystal Structure of EGFR-WT in Complex with TAK-788 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-12-12 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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6Y7A
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![BU of 6y7a by Molmil](/molmil-images/mine/6y7a) | X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6Y7B
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![BU of 6y7b by Molmil](/molmil-images/mine/6y7b) | X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate | Descriptor: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6Y8P
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![BU of 6y8p by Molmil](/molmil-images/mine/6y8p) | Crystal structure of SNAP-tag labeled with a benzyl-tetramethylrhodamine fluorophore | Descriptor: | 1,2-ETHANEDIOL, O6-alkylguanine-DNA alkyltransferase mutant, ZINC ION, ... | Authors: | Gotthard, G, Tanzer, T, Johnsson, K, Hiblot, J. | Deposit date: | 2020-03-05 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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2YA0
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![BU of 2ya0 by Molmil](/molmil-images/mine/2ya0) | Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALKALINE AMYLOPULLULANASE, ... | Authors: | Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-17 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor. Structure, 19, 2011
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6ZCC
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![BU of 6zcc by Molmil](/molmil-images/mine/6zcc) | X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 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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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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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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3ONJ
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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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3K8S
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![BU of 3k8s by Molmil](/molmil-images/mine/3k8s) | Crystal Structure of PPARg in complex with T2384 | Descriptor: | 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, Z. | Deposit date: | 2009-10-14 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties J.Biol.Chem., 283, 2008
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2BZ9
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![BU of 2bz9 by Molmil](/molmil-images/mine/2bz9) | |
1TRP
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![BU of 1trp by Molmil](/molmil-images/mine/1trp) | |
1TRQ
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![BU of 1trq by Molmil](/molmil-images/mine/1trq) | |
1XUC
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![BU of 1xuc by Molmil](/molmil-images/mine/1xuc) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(3-METHYLBENZYL)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 (1.7 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13 Chem.Biol., 12, 2005
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1XUD
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![BU of 1xud by Molmil](/molmil-images/mine/1xud) | Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor | Descriptor: | CALCIUM ION, Collagenase 3, N,N'-BIS(4-FLUORO-3-METHYLBENZYL)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 (1.8 Å) | Cite: | Structural basis for the highly selective inhibition of MMP-13. Chem.Biol., 12, 2005
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2CIB
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![BU of 2cib by Molmil](/molmil-images/mine/2cib) | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | Descriptor: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | Deposit date: | 2006-03-17 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
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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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7OQB
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![BU of 7oqb by Molmil](/molmil-images/mine/7oqb) | The U2 part of Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | ACT1 pre-mRNA (delta-BS-A), Cold sensitive U2 snRNA suppressor 1, Pre-mRNA-processing ATP-dependent RNA helicase PRP5, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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7OQE
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![BU of 7oqe by Molmil](/molmil-images/mine/7oqe) | Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA (delta BS-A), Cold sensitive U2 snRNA suppressor 1, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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7OQC
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![BU of 7oqc by Molmil](/molmil-images/mine/7oqc) | The U1 part of Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A), Pre-mRNA-processing factor 39, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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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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6SUR
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![BU of 6sur by Molmil](/molmil-images/mine/6sur) | The Rab33B-Atg16L1 crystal structure | Descriptor: | Autophagy-related protein 16-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Metje-Sprink, J, Kuehnel, K. | Deposit date: | 2019-09-16 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.467 Å) | Cite: | Crystal structure of the Rab33B/Atg16L1 effector complex. Sci Rep, 10, 2020
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