6RTZ
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6RU0
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1KD8
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![BU of 1kd8 by Molmil](/molmil-images/mine/1kd8) | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12Ia16V BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12Ia16V, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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1KD9
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![BU of 1kd9 by Molmil](/molmil-images/mine/1kd9) | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12La16L BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16L, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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1KDD
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![BU of 1kdd by Molmil](/molmil-images/mine/1kdd) | X-ray structure of the coiled coil GCN4 ACID BASE HETERODIMER ACID-d12La16I BASE-d12La16L | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16I, GCN4 ACID BASE HETERODIMER BASE-d12La16L | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | Deposit date: | 2001-11-12 | Release date: | 2001-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils. Proc.Natl.Acad.Sci.USA, 98, 2001
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7LXE
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5W89
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![BU of 5w89 by Molmil](/molmil-images/mine/5w89) | Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18 | Authors: | Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W8F
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![BU of 5w8f by Molmil](/molmil-images/mine/5w8f) | Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14 | Authors: | Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1W2N
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![BU of 1w2n by Molmil](/molmil-images/mine/1w2n) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin | Descriptor: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W28
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![BU of 1w28 by Molmil](/molmil-images/mine/1w28) | Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-06-30 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2O
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![BU of 1w2o by Molmil](/molmil-images/mine/1w2o) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2A
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![BU of 1w2a by Molmil](/molmil-images/mine/1w2a) | Deacetoxycephalosporin C synthase (with his-tag) complexed with Fe(II) and ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-01 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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6E3J
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6E3I
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4ZI2
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![BU of 4zi2 by Molmil](/molmil-images/mine/4zi2) | BART-like domain of BARTL1/CCDC104 in complex with Arl3FL bound to GppNHp in P21 21 21 | Descriptor: | ADP-ribosylation factor-like protein 3, Cilia- and flagella-associated protein 36, MAGNESIUM ION, ... | Authors: | Lokaj, M, Koerner, C, Koesling, S, Wittinghofer, A. | Deposit date: | 2015-04-27 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Interaction of CCDC104/BARTL1 with Arl3 and Implications for Ciliary Function. Structure, 23, 2015
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2V4B
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![BU of 2v4b by Molmil](/molmil-images/mine/2v4b) | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form) | Descriptor: | ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | Deposit date: | 2007-06-28 | Release date: | 2008-01-15 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains. J.Mol.Biol., 373, 2007
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6T3B
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![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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6T3C
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![BU of 6t3c by Molmil](/molmil-images/mine/6t3c) | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | Descriptor: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-09 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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3CP2
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![BU of 3cp2 by Molmil](/molmil-images/mine/3cp2) | Crystal structure of GidA from E. coli | Descriptor: | SULFATE ION, tRNA uridine 5-carboxymethylaminomethyl modification enzyme gidA | Authors: | Scrima, A, Meyer, S, Versees, W, Wittinghofer, A. | Deposit date: | 2008-03-30 | Release date: | 2008-06-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of the conserved tRNA-modifying enzyme GidA: implications for its interaction with MnmE and substrate J.Mol.Biol., 380, 2008
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821P
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![BU of 821p by Molmil](/molmil-images/mine/821p) | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLYCINE-12 MUTANT OF P21H-RAS | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Scheidig, A.J, Krengel, U, Pai, E.F, Kabsch, W, Wittinghofer, A, Goody, R.S. | Deposit date: | 1993-03-29 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras. Biochemistry, 32, 1993
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2JIH
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![BU of 2jih by Molmil](/molmil-images/mine/2jih) | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ... | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | Deposit date: | 2007-06-28 | Release date: | 2008-01-15 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains. J. Mol. Biol., 373, 2007
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2HF9
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![BU of 2hf9 by Molmil](/molmil-images/mine/2hf9) | Crystal structure of HypB from Methanocaldococcus jannaschii in the triphosphate form | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Probable hydrogenase nickel incorporation protein hypB, ... | Authors: | Gasper, R, Scrima, A, Wittinghofer, A. | Deposit date: | 2006-06-23 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into HypB, a GTP-binding protein that regulates metal binding. J.Biol.Chem., 281, 2006
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3LVR
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![BU of 3lvr by Molmil](/molmil-images/mine/3lvr) | The crystal structure of ASAP3 in complex with Arf6 in transition state soaked with Calcium | Descriptor: | ALUMINUM FLUORIDE, Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 3, ... | Authors: | Ismail, S.A, Vetter, I.R, Sot, B, Wittinghofer, A. | Deposit date: | 2010-02-22 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | The structure of an Arf-ArfGAP complex reveals a Ca2+ regulatory mechanism Cell(Cambridge,Mass.), 141, 2010
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6MBB
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![BU of 6mbb by Molmil](/molmil-images/mine/6mbb) | Human Bfl-1 in complex with the designed peptide dF1 | Descriptor: | Bcl-2-related protein A1, dF1 | Authors: | Jenson, J.M, Keating, A.E. | Deposit date: | 2018-08-29 | Release date: | 2019-03-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1. Structure, 27, 2019
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