3H5F
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![BU of 3h5f by Molmil](/molmil-images/mine/3h5f) | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. | Descriptor: | ACETATE ION, CHLORIDE ION, COIL SER L16L-Pen, ... | Authors: | Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2009-04-22 | Release date: | 2009-07-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. Angew.Chem.Int.Ed.Engl., 48, 2009
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5VTB
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![BU of 5vtb by Molmil](/molmil-images/mine/5vtb) | Crystal structure of RBBP4 bound to BCL11a peptide | Descriptor: | B-cell lymphoma/leukemia 11A, GLYCEROL, Histone-binding protein RBBP4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2017-05-16 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes. J. Biol. Chem., 293, 2018
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8GBN
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![BU of 8gbn by Molmil](/molmil-images/mine/8gbn) | Structure of Apo Human SIRT5 P114T Mutant | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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8GBL
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![BU of 8gbl by Molmil](/molmil-images/mine/8gbl) | Structure of Apo Human SIRT5 | Descriptor: | NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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5K92
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![BU of 5k92 by Molmil](/molmil-images/mine/5k92) | Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide | Descriptor: | Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-05-31 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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5KB0
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![BU of 5kb0 by Molmil](/molmil-images/mine/5kb0) | Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | Descriptor: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-06-02 | Release date: | 2016-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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6DHS
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![BU of 6dhs by Molmil](/molmil-images/mine/6dhs) | Structure of hnRNP H qRRM1,2 | Descriptor: | Heterogeneous nuclear ribonucleoprotein H | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-05-21 | Release date: | 2018-09-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H. J. Am. Chem. Soc., 2018
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6DS9
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![BU of 6ds9 by Molmil](/molmil-images/mine/6ds9) | Elongated version of a de novo designed three helix bundle structure (GRa3D) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ... | Authors: | Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2018-06-13 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein. Inorg Chem, 57, 2018
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4TW3
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![BU of 4tw3 by Molmil](/molmil-images/mine/4tw3) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-06-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4FKI
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![BU of 4fki by Molmil](/molmil-images/mine/4fki) | |
4FKT
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![BU of 4fkt by Molmil](/molmil-images/mine/4fkt) | |
4FKQ
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![BU of 4fkq by Molmil](/molmil-images/mine/4fkq) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKU
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4FKG
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![BU of 4fkg by Molmil](/molmil-images/mine/4fkg) | |
4FKS
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![BU of 4fks by Molmil](/molmil-images/mine/4fks) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKV
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![BU of 4fkv by Molmil](/molmil-images/mine/4fkv) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKP
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1YTS
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![BU of 1yts by Molmil](/molmil-images/mine/1yts) | A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE | Descriptor: | SULFATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE | Authors: | Schubert, H.L, Stuckey, J.A, Fauman, E.B, Dixon, J.E, Saper, M.A. | Deposit date: | 1995-04-07 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase. Protein Sci., 4, 1995
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7TVA
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![BU of 7tva by Molmil](/molmil-images/mine/7tva) | Stat5a Core in complex with AK2292 | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.835 Å) | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7TVB
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![BU of 7tvb by Molmil](/molmil-images/mine/7tvb) | Stat5A Core in Complex with AK305 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.653 Å) | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7UBT
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![BU of 7ubt by Molmil](/molmil-images/mine/7ubt) | Stat5a Core in complex with Compound 18 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-15 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC7
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![BU of 7uc7 by Molmil](/molmil-images/mine/7uc7) | Stat5a Core in complex with Compound 17 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC6
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![BU of 7uc6 by Molmil](/molmil-images/mine/7uc6) | Stat5a Core in complex with Compound 12 | Descriptor: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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3H5G
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![BU of 3h5g by Molmil](/molmil-images/mine/3h5g) | |
2BN0
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![BU of 2bn0 by Molmil](/molmil-images/mine/2bn0) | Banana Lectin bound to Laminaribiose | Descriptor: | CADMIUM ION, RIPENING-ASSOCIATED PROTEIN, SULFATE ION, ... | Authors: | Meagher, J.L, Winter, H.C, Ezell, P, Goldstein, I.J, Stuckey, J.A. | Deposit date: | 2005-03-17 | Release date: | 2005-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Banana Lectin Reveals a Novel Second Sugar Binding Site. Glycobiology, 15, 2005
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