1A0P
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![BU of 1a0p by Molmil](/molmil-images/mine/1a0p) | SITE-SPECIFIC RECOMBINASE, XERD | Descriptor: | SITE-SPECIFIC RECOMBINASE XERD | Authors: | Subramanya, H.S, Arciszewska, L.K, Baker, R.A, Bird, L.E, Sherratt, D.J, Wigley, D.B. | Deposit date: | 1997-12-05 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the site-specific recombinase, XerD. EMBO J., 16, 1997
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1A0I
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![BU of 1a0i by Molmil](/molmil-images/mine/1a0i) | ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA LIGASE | Authors: | Subramanya, H.S, Doherty, A.J, Ashford, S.R, Wigley, D.B. | Deposit date: | 1997-12-01 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an ATP-dependent DNA ligase from bacteriophage T7. Cell(Cambridge,Mass.), 85, 1996
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1OTG
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![BU of 1otg by Molmil](/molmil-images/mine/1otg) | 5-CARBOXYMETHYL-2-HYDROXYMUCONATE ISOMERASE | Descriptor: | 5-CARBOXYMETHYL-2-HYDROXYMUCONATE ISOMERASE, SULFATE ION | Authors: | Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B. | Deposit date: | 1995-11-09 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases. Biochemistry, 35, 1996
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1PJR
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1OTF
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![BU of 1otf by Molmil](/molmil-images/mine/1otf) | 4-OXALOCROTONATE TAUTOMERASE-TRICLINIC CRYSTAL FORM | Descriptor: | 4-OXALOCROTONATE TAUTOMERASE | Authors: | Subramanya, H.S, Roper, D.I, Dauter, Z, Dodson, E.J, Davies, G.J, Wilson, K.S, Wigley, D.B. | Deposit date: | 1995-11-09 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Enzymatic ketonization of 2-hydroxymuconate: specificity and mechanism investigated by the crystal structures of two isomerases. Biochemistry, 35, 1996
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4JYT
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![BU of 4jyt by Molmil](/molmil-images/mine/4jyt) | Crystal Structure of Matriptase in complex with Inhibitor | Descriptor: | 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-01 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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4JZI
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![BU of 4jzi by Molmil](/molmil-images/mine/4jzi) | Crystal Structure of Matriptase in complex with Inhibitor". | Descriptor: | N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-03 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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4JZ1
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![BU of 4jz1 by Molmil](/molmil-images/mine/4jz1) | Crystal Structure of Matriptase in complex with Inhibitor | Descriptor: | 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-02 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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1I9G
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![BU of 1i9g by Molmil](/molmil-images/mine/1i9g) | CRYSTAL STRUCTURE OF AN ADOMET DEPENDENT METHYLTRANSFERASE | Descriptor: | HYPOTHETICAL PROTEIN RV2118C, S-ADENOSYLMETHIONINE | Authors: | Gupta, A, Kumar, P.H, Dineshkumar, T.K, Varshney, U, Subramanya, H.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2001-03-20 | Release date: | 2001-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of Rv2118c: an AdoMet-dependent methyltransferase from Mycobacterium tuberculosis H37Rv. J.Mol.Biol., 312, 2001
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1YJS
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![BU of 1yjs by Molmil](/molmil-images/mine/1yjs) | K226Q Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Glycine | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-15 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJY
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![BU of 1yjy by Molmil](/molmil-images/mine/1yjy) | K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus, Complex With Serine | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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1YJZ
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![BU of 1yjz by Molmil](/molmil-images/mine/1yjz) | K226M Mutant Of Serine Hydroxymethyltransferase From B. Stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Bhavani, S, Trivedi, V, Jala, V.R, Subramanya, H.S, Kaul, P, Purnima, K, Prakash, V, Appaji, R.N, Savithri, H.S. | Deposit date: | 2005-01-16 | Release date: | 2005-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of Lys-226 in the Catalytic Mechanism of Bacillus Stearothermophilus Serine Hydroxymethyltransferase-Crystal Structure and Kinetic Studies Biochemistry, 44, 2005
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3PJR
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![BU of 3pjr by Molmil](/molmil-images/mine/3pjr) | HELICASE SUBSTRATE COMPLEX | Descriptor: | 5'-D(*CP*GP*AP*GP*CP*AP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*GP*CP*TP*CP*GP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Velankar, S.S, Soultanas, P, Dillingham, M.S, Subramanya, H.S, Wigley, D.B. | Deposit date: | 1999-03-12 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structures of complexes of PcrA DNA helicase with a DNA substrate indicate an inchworm mechanism Cell(Cambridge,Mass.), 97, 1999
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1KL2
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![BU of 1kl2 by Molmil](/molmil-images/mine/1kl2) | Crystal Structure of Serine Hydroxymethyltransferase Complexed with Glycine and 5-formyl tetrahydrofolate | Descriptor: | GLYCINE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-11 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KKP
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![BU of 1kkp by Molmil](/molmil-images/mine/1kkp) | Crystal Structure of Serine Hydroxymethyltransferase complexed with Serine | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-10 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KL1
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![BU of 1kl1 by Molmil](/molmil-images/mine/1kl1) | Crystal Structure of Serine Hydroxymethyltransferase Complexed with Glycine | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-11 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KKJ
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![BU of 1kkj by Molmil](/molmil-images/mine/1kkj) | Crystal Structure of Serine Hydroxymethyltransferase from B.stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-09 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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2PJR
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![BU of 2pjr by Molmil](/molmil-images/mine/2pjr) | HELICASE PRODUCT COMPLEX | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*T)-3'), ... | Authors: | Velankar, S.S, Soultanas, P, Dillingham, M.S, Subramanya, H.S, Wigley, D.B. | Deposit date: | 1999-03-12 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of complexes of PcrA DNA helicase with a DNA substrate indicate an inchworm mechanism. Cell(Cambridge,Mass.), 97, 1999
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4O97
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![BU of 4o97 by Molmil](/molmil-images/mine/4o97) | Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-02 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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4O9V
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![BU of 4o9v by Molmil](/molmil-images/mine/4o9v) | Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-03 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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4RLH
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![BU of 4rlh by Molmil](/molmil-images/mine/4rlh) | Crystal structure of enoyl ACP reductase from Burkholderia pseudomallei in complex with AFN-1252 | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide | Authors: | Rao, K.N, Sarah, J, Anirudha, L, Subramanya, H.S. | Deposit date: | 2014-10-17 | Release date: | 2015-12-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of enoyl ACP reductase from
Burkholderia pseudomallei in complex with AFN-1252 To be Published
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1SMV
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![BU of 1smv by Molmil](/molmil-images/mine/1smv) | |
7PQV
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![BU of 7pqv by Molmil](/molmil-images/mine/7pqv) | MEK1 IN COMPLEX WITH COMPOUND 7 | Descriptor: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Moebitz, H. | Deposit date: | 2021-09-20 | Release date: | 2022-03-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action. J.Med.Chem., 65, 2022
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4R0I
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![BU of 4r0i by Molmil](/molmil-images/mine/4r0i) | CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR | Descriptor: | 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... | Authors: | Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. | Deposit date: | 2014-07-31 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
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7C2V
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![BU of 7c2v by Molmil](/molmil-images/mine/7c2v) | Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948 | Descriptor: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Krishnamurthy, N.R, Robert, B. | Deposit date: | 2020-05-09 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Acs Med.Chem.Lett., 11, 2020
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