6BXY
 
 | | Menin in complex with MI-1481 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2017-12-19 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
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6BY8
 | | Menin in complex with MI-1482 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
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5DDB
 | | Menin in complex with MI-319 | | Descriptor: | 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDC
 | | Menin in complex with MI-2-3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDA
 | | Menin in complex with MI-333 | | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DDF
 | | Menin in complex with MI-273 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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2NNT
 | | General structural motifs of amyloid protofilaments | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Ferguson, N, Becker, J, Tidow, H, Tremmel, S, Sharpe, T.D, Krause, G, Flinders, J, Petrovich, M, Berriman, J, Oschkinat, H, Fersht, A.R. | | Deposit date: | 2006-10-24 | | Release date: | 2006-11-14 | | Last modified: | 2023-12-27 | | Method: | SOLID-STATE NMR | | Cite: | General structural motifs of amyloid protofilaments.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4WH7
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4WH9
 | | Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor | | Descriptor: | 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ... | | Authors: | Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T. | | Deposit date: | 2014-09-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
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4OG6
 | | Human menin with bound inhibitor MIV-4 | | Descriptor: | 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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4OG7
 | | Human menin with bound inhibitor MIV-7 | | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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1FZQ
 | | CRYSTAL STRUCTURE OF MURINE ARL3-GDP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 3, AMMONIUM ION, ... | | Authors: | Hillig, R.C, Hanzal-Bayer, M, Linari, M, Becker, J, Wittinghofer, A, Renault, L. | | Deposit date: | 2000-10-04 | | Release date: | 2000-12-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical properties show ARL3-GDP as a distinct GTP binding protein.
Structure Fold.Des., 8, 2000
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1A5R
 | | STRUCTURE DETERMINATION OF THE SMALL UBIQUITIN-RELATED MODIFIER SUMO-1, NMR, 10 STRUCTURES | | Descriptor: | SUMO-1 | | Authors: | Bayer, P, Arndt, A, Metzger, S, Mahajan, R, Melchior, F, Jaenicke, R, Becker, J. | | Deposit date: | 1998-02-18 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure determination of the small ubiquitin-related modifier SUMO-1.
J.Mol.Biol., 280, 1998
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3KP9
 | | Structure of a bacterial homolog of vitamin K epoxide reductase | | Descriptor: | MERCURY (II) ION, UBIQUINONE-10, VKORC1/thioredoxin domain protein | | Authors: | Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-02-09 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of a bacterial homologue of vitamin K epoxide reductase.
Nature, 463, 2010
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3KP8
 | | The thioredoxin-like domain of a VKOR homolog from Synechococcus sp. | | Descriptor: | VKORC1/thioredoxin domain protein | | Authors: | Li, W, Schulman, S, Dutton, R.J, Boyd, D, Beckwith, J, Rapoport, T.A. | | Deposit date: | 2009-11-15 | | Release date: | 2010-03-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of a bacterial homologue of vitamin K epoxide reductase.
Nature, 463, 2010
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2B8A
 | | High Resolution Structure of the HDGF PWWP Domain | | Descriptor: | Hepatoma-derived growth factor | | Authors: | Lukasik, S.M, Cierpicki, T, Borloz, M, Grembecka, J, Everett, A, Bushweller, J.H. | | Deposit date: | 2005-10-06 | | Release date: | 2005-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High resolution structure of the HDGF PWWP domain: a potential DNA binding domain.
Protein Sci., 15, 2006
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7JFY
 | | GAS41 YEATS domain in complex with 5 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide, ... | | Authors: | Linhares, B.M, Listunov, D, Winkler, A, Grembecka, J, Cierpicki, T. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.100557 Å) | | Cite: | GAS41 YEATS domain in complex with 5
To Be Published
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1A12
 | | REGULATOR OF CHROMOSOME CONDENSATION (RCC1) OF HUMAN | | Descriptor: | REGULATOR OF CHROMOSOME CONDENSATION 1 | | Authors: | Renault, L, Nassar, N, Vetter, I, Becker, J, Roth, M, Wittinghofer, A. | | Deposit date: | 1997-12-19 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The 1.7 A crystal structure of the regulator of chromosome condensation (RCC1) reveals a seven-bladed propeller.
Nature, 392, 1998
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4GQ6
 | | Human menin in complex with MLL peptide | | Descriptor: | Histone-lysine N-methyltransferase MLL, Menin, PENTAETHYLENE GLYCOL, ... | | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | | Deposit date: | 2012-08-22 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
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4GQ4
 | | Human menin with bound inhibitor MI-2-2 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, ... | | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | | Deposit date: | 2012-08-22 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
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4GQ3
 | | Human menin with bound inhibitor MI-2 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ... | | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | | Deposit date: | 2012-08-22 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
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4GPQ
 | | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Menin, ... | | Authors: | Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T. | | Deposit date: | 2012-08-21 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
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2K73
 | | Solution NMR structure of integral membrane protein DsbB | | Descriptor: | Disulfide bond formation protein B | | Authors: | Zhou, Y, Cierpicki, T, Flores Jimenez, R.H, Lukasik, S.M, Ellena, J.F, Cafiso, D.S, Kadokura, H, Beckwith, J, Bushweller, J.H. | | Deposit date: | 2008-08-01 | | Release date: | 2008-10-07 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the integral membrane enzyme DsbB: functional insights into DsbB-catalyzed disulfide bond formation.
Mol.Cell, 31, 2008
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6G3R
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | | Descriptor: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | Authors: | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | Deposit date: | 2018-03-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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6G3S
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited. | | Descriptor: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | Authors: | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | Deposit date: | 2018-03-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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