7MX1
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![BU of 7mx1 by Molmil](/molmil-images/mine/7mx1) | PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog | Descriptor: | ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | Deposit date: | 2021-05-17 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles. Org.Biomol.Chem., 19, 2021
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3B8J
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1VBB
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![BU of 1vbb by Molmil](/molmil-images/mine/1vbb) | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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1VBC
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![BU of 1vbc by Molmil](/molmil-images/mine/1vbc) | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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1VBD
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![BU of 1vbd by Molmil](/molmil-images/mine/1vbd) | POLIOVIRUS (TYPE 1, MAHONEY STRAIN) COMPLEXED WITH R78206 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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1VBE
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![BU of 1vbe by Molmil](/molmil-images/mine/1vbe) | POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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1VBA
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![BU of 1vba by Molmil](/molmil-images/mine/1vba) | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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1TME
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![BU of 1tme by Molmil](/molmil-images/mine/1tme) | THREE-DIMENSIONAL STRUCTURE OF THEILER VIRUS | Descriptor: | THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP1), THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP2), THEILER'S MURINE ENCEPHALOMYELITIS VIRUS (SUBUNIT VP3), ... | Authors: | Grant, R.A, Filman, D.J, Hogle, J.M. | Deposit date: | 1992-01-30 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of Theiler virus. Proc.Natl.Acad.Sci.USA, 89, 1992
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1DPS
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![BU of 1dps by Molmil](/molmil-images/mine/1dps) | THE CRYSTAL STRUCTURE OF DPS, A FERRITIN HOMOLOG THAT BINDS AND PROTECTS DNA | Descriptor: | DPS, SODIUM ION | Authors: | Grant, R.A, Filman, D.J, Finkel, S.E, Kolter, R, Hogle, J.M. | Deposit date: | 1998-02-23 | Release date: | 1998-09-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Dps, a ferritin homolog that binds and protects DNA. Nat.Struct.Biol., 5, 1998
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1DU0
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![BU of 1du0 by Molmil](/molmil-images/mine/1du0) | ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*GP*GP*TP*AP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*TP*AP*CP*CP*TP*AP*A)-3'), ENGRAILED HOMEODOMAIN | Authors: | Grant, R.A, Rould, M.A, Klemm, J.D, Pabo, C.O. | Deposit date: | 2000-01-13 | Release date: | 2000-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the role of glutamine 50 in the homeodomain-DNA interface: crystal structure of engrailed (Gln50 --> ala) complex at 2.0 A. Biochemistry, 39, 2000
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6OTT
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![BU of 6ott by Molmil](/molmil-images/mine/6ott) | Structure of PurF in complex with ppApp | Descriptor: | Amidophosphoribosyltransferase, PurF, MAGNESIUM ION, ... | Authors: | Grant, R.A, Wang, B, Laub, M.T. | Deposit date: | 2019-05-03 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An interbacterial toxin inhibits target cell growth by synthesizing (p)ppApp. Nature, 575, 2019
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5JI3
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![BU of 5ji3 by Molmil](/molmil-images/mine/5ji3) | HslUV complex | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV | Authors: | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | Deposit date: | 2016-04-21 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis. Structure, 24, 2016
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5JI2
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![BU of 5ji2 by Molmil](/molmil-images/mine/5ji2) | HslU L199Q in HslUV complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ... | Authors: | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | Deposit date: | 2016-04-21 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.307 Å) | Cite: | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis. Structure, 24, 2016
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4X9V
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![BU of 4x9v by Molmil](/molmil-images/mine/4x9v) | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C | Descriptor: | Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | Deposit date: | 2014-12-11 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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6AX4
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![BU of 6ax4 by Molmil](/molmil-images/mine/6ax4) | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | Descriptor: | AMYLAMINE, Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | Deposit date: | 2017-09-06 | Release date: | 2018-09-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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4X9W
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![BU of 4x9w by Molmil](/molmil-images/mine/4x9w) | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C | Descriptor: | Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | Deposit date: | 2014-12-11 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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4X9R
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![BU of 4x9r by Molmil](/molmil-images/mine/4x9r) | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B | Descriptor: | Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | Deposit date: | 2014-12-11 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles. Biopolymers, 104, 2015
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2PIE
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5TXV
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![BU of 5txv by Molmil](/molmil-images/mine/5txv) | HslU P21 cell with 4 hexamers | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU | Authors: | Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T. | Deposit date: | 2016-11-17 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (7.086 Å) | Cite: | Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation. J. Biol. Chem., 292, 2017
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3LH1
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![BU of 3lh1 by Molmil](/molmil-images/mine/3lh1) | Q191A mutant of the DegS-deltaPDZ | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.507 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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3LGU
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![BU of 3lgu by Molmil](/molmil-images/mine/3lgu) | Y162A mutant of the DegS-deltaPDZ protease | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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3LGY
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![BU of 3lgy by Molmil](/molmil-images/mine/3lgy) | R178A mutant of the DegS-deltaPDZ protease | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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6CZF
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![BU of 6czf by Molmil](/molmil-images/mine/6czf) | The structure of E. coli PurF in complex with ppGpp-Mg | Descriptor: | Amidophosphoribosyltransferase, GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION | Authors: | Wang, B, Grant, R.A, Laub, M.T. | Deposit date: | 2018-04-09 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Affinity-based capture and identification of protein effectors of the growth regulator ppGpp. Nat. Chem. Biol., 15, 2019
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4YKA
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![BU of 4yka by Molmil](/molmil-images/mine/4yka) | The structure of Agrobacterium tumefaciens ClpS2 in complex with L-tyrosinamide | Descriptor: | ATP-dependent Clp protease adapter protein ClpS 2, L-TYROSINAMIDE, SULFATE ION | Authors: | Stein, B, Grant, R.A, Sauer, R.T, Baker, T.A. | Deposit date: | 2015-03-04 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural Basis of an N-Degron Adaptor with More Stringent Specificity. Structure, 24, 2016
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4YJX
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![BU of 4yjx by Molmil](/molmil-images/mine/4yjx) | The structure of Agrobacterium tumefaciens ClpS2 bound to L-phenylalaninamide | Descriptor: | ATP-dependent Clp protease adapter protein ClpS 2, PHENYLALANINE AMIDE, SULFATE ION | Authors: | Stein, B, Grant, R.A, Sauer, R.T, Baker, T.A. | Deposit date: | 2015-03-03 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.547 Å) | Cite: | Structural Basis of an N-Degron Adaptor with More Stringent Specificity. Structure, 24, 2016
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