3EBG
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![BU of 3ebg by Molmil](/molmil-images/mine/3ebg) | Structure of the M1 Alanylaminopeptidase from malaria | Descriptor: | GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... | Authors: | McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2008-08-27 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase Proc.Natl.Acad.Sci.USA, 106, 2009
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3EBH
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![BU of 3ebh by Molmil](/molmil-images/mine/3ebh) | Structure of the M1 Alanylaminopeptidase from malaria complexed with bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, GLYCEROL, M1 family aminopeptidase, ... | Authors: | McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2008-08-27 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase Proc.Natl.Acad.Sci.USA, 106, 2009
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5FBA
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![BU of 5fba by Molmil](/molmil-images/mine/5fba) | S1 nuclease from Aspergillus oryzae in complex with phosphate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nuclease S1, ... | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. PLoS ONE, 11, 2016
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5FBD
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![BU of 5fbd by Molmil](/molmil-images/mine/5fbd) | S1 nuclease from Aspergillus oryzae in complex with phosphate and 2'-deoxycytidine | Descriptor: | 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. PLoS ONE, 11, 2016
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1A2J
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![BU of 1a2j by Molmil](/molmil-images/mine/1a2j) | OXIDIZED DSBA CRYSTAL FORM II | Descriptor: | DISULFIDE BOND FORMATION PROTEIN | Authors: | Martin, J.L, Guddat, L.W. | Deposit date: | 1998-01-06 | Release date: | 1998-09-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization. Structure, 6, 1998
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1A2M
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![BU of 1a2m by Molmil](/molmil-images/mine/1a2m) | |
6KQQ
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![BU of 6kqq by Molmil](/molmil-images/mine/6kqq) | NSD1 SET domain in complex with BT3 and SAM | Descriptor: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol, 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol, CALCIUM ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6KQP
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![BU of 6kqp by Molmil](/molmil-images/mine/6kqp) | NSD1 SET domain in complex with SAM | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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1A2L
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![BU of 1a2l by Molmil](/molmil-images/mine/1a2l) | REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION | Descriptor: | DISULFIDE BOND FORMATION PROTEIN | Authors: | Martin, J.L, Guddat, L.W. | Deposit date: | 1998-01-06 | Release date: | 1998-07-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of reduced and oxidized DsbA: investigation of domain motion and thiolate stabilization. Structure, 6, 1998
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/9ax6) | Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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1KSJ
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![BU of 1ksj by Molmil](/molmil-images/mine/1ksj) | Complex of Arl2 and PDE delta, Crystal Form 2 (SeMet) | Descriptor: | BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C. | Deposit date: | 2002-01-13 | Release date: | 2002-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The complex of Arl2-GTP and PDE delta: from structure to function EMBO J., 21, 2002
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7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | Descriptor: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | Deposit date: | 2021-01-29 | Release date: | 2021-06-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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1KSH
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![BU of 1ksh by Molmil](/molmil-images/mine/1ksh) | Complex of Arl2 and PDE delta, Crystal Form 2 (native) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C. | Deposit date: | 2002-01-13 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The complex of Arl2-GTP and PDE delta: from structure to function. EMBO J., 21, 2002
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1KSG
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![BU of 1ksg by Molmil](/molmil-images/mine/1ksg) | Complex of Arl2 and PDE delta, Crystal Form 1 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RETINAL ROD RHODOPSIN-SENSITIVE CGMP 3',5'-CYCLIC PHOSPHODIESTERASE DELTA-SUBUNIT, ... | Authors: | Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C. | Deposit date: | 2002-01-13 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The complex of Arl2-GTP and PDE delta: from structure to function. EMBO J., 21, 2002
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3KQX
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![BU of 3kqx by Molmil](/molmil-images/mine/3kqx) | Structure of a protease 1 | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ... | Authors: | McGowan, S, Whisstock, J.C. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases Proc.Natl.Acad.Sci.USA, 107, 2010
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3KR4
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![BU of 3kr4 by Molmil](/molmil-images/mine/3kr4) | Structure of a protease 3 | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, CARBONATE ION, M17 leucyl aminopeptidase, ... | Authors: | McGowan, S, Whisstock, J.C. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases Proc.Natl.Acad.Sci.USA, 107, 2010
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3KR5
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![BU of 3kr5 by Molmil](/molmil-images/mine/3kr5) | Structure of a protease 4 | Descriptor: | (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, CARBONATE ION, M17 leucyl aminopeptidase, ... | Authors: | McGowan, S, Whisstock, J.C. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases Proc.Natl.Acad.Sci.USA, 107, 2010
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3KQZ
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![BU of 3kqz by Molmil](/molmil-images/mine/3kqz) | Structure of a protease 2 | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ... | Authors: | McGowan, S, Whisstock, J.C. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases Proc.Natl.Acad.Sci.USA, 107, 2010
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1D4U
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![BU of 1d4u by Molmil](/molmil-images/mine/1d4u) | INTERACTIONS OF HUMAN NUCLEOTIDE EXCISION REPAIR PROTEIN XPA WITH RPA70 AND DNA: CHEMICAL SHIFT MAPPING AND 15N NMR RELAXATION STUDIES | Descriptor: | NUCLEOTIDE EXCISION REPAIR PROTEIN XPA (XPA-MBD), ZINC ION | Authors: | Buchko, G.W, Daughdrill, G.W, de Lorimier, R, Rao, S, Isern, N.G, Lingbeck, J, Taylor, J, Wold, M.S, Gochin, M, Spicer, L.D, Lowry, D.F, Kennedy, M.A. | Deposit date: | 1999-10-06 | Release date: | 1999-10-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of human nucleotide excision repair protein XPA with DNA and RPA70 Delta C327: chemical shift mapping and 15N NMR relaxation studies. Biochemistry, 38, 1999
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5VNB
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![BU of 5vnb by Molmil](/molmil-images/mine/5vnb) | YEATS in complex with histone H3 | Descriptor: | 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2017-04-29 | Release date: | 2018-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode. ACS Chem. Biol., 13, 2018
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2MTN
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![BU of 2mtn by Molmil](/molmil-images/mine/2mtn) | Solution structure of MLL-IBD complex | Descriptor: | Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein fusion | Authors: | Cierpicki, T, Pollock, J, Murai, M. | Deposit date: | 2014-08-23 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The same site on the integrase-binding domain of lens epithelium-derived growth factor is a therapeutic target for MLL leukemia and HIV. Blood, 124, 2014
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5VNA
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![BU of 5vna by Molmil](/molmil-images/mine/5vna) | Crystal structure of human YEATS domain | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2017-04-29 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode. ACS Chem. Biol., 13, 2018
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2JYI
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![BU of 2jyi by Molmil](/molmil-images/mine/2jyi) | Solution structure of MLL CXXC domain | Descriptor: | ZINC ION, Zinc finger protein HRX | Authors: | Cierpicki, T, Bushweller, J.H. | Deposit date: | 2007-12-13 | Release date: | 2008-12-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for maintenance of unmethylated CpG elements by the CXXC domain of MLL and its critical contributions to MLL-AF9 immortalization activity To be Published
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