5JBS
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![BU of 5jbs by Molmil](/molmil-images/mine/5jbs) | Conformational changes during monomer-to-dimer transition of Brucella suis VirB8 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arya, T, Sharifahmadian, M, Sygusch, J, Baron, B. | Deposit date: | 2016-04-13 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | NMR analyses, X-ray crystallography and small-molecule probing reveal conformational shifts during monomer-to-dimer transition of Brucella suis VirB8 To Be Published
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6BGE
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![BU of 6bge by Molmil](/molmil-images/mine/6bge) | HELICOBACTER PYLORI ATPASE, HP0525, IN COMPLEX WITH 1G2 COMPOUND | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(pyridin-2-yl)oxy]benzoic acid, GLYCEROL, ... | Authors: | Arya, T, Casu, B, Baron, C. | Deposit date: | 2017-10-27 | Release date: | 2018-10-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | CagAlpha in complex with hexamer inhibitor To Be Published
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4KM3
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![BU of 4km3 by Molmil](/molmil-images/mine/4km3) | |
4U6W
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![BU of 4u6w by Molmil](/molmil-images/mine/4u6w) | |
4U71
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![BU of 4u71 by Molmil](/molmil-images/mine/4u71) | |
4U75
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![BU of 4u75 by Molmil](/molmil-images/mine/4u75) | HsMetAP (F309M) in complex with Methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U1B
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![BU of 4u1b by Molmil](/molmil-images/mine/4u1b) | HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-15 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6J
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![BU of 4u6j by Molmil](/molmil-images/mine/4u6j) | HsMetAP in complex with methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-29 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6E
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![BU of 4u6e by Molmil](/molmil-images/mine/4u6e) | HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6Z
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![BU of 4u6z by Molmil](/molmil-images/mine/4u6z) | |
4U6C
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![BU of 4u6c by Molmil](/molmil-images/mine/4u6c) | |
4U69
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![BU of 4u69 by Molmil](/molmil-images/mine/4u69) | HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U70
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![BU of 4u70 by Molmil](/molmil-images/mine/4u70) | |
4U76
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![BU of 4u76 by Molmil](/molmil-images/mine/4u76) | HsMetAP (F309M) holo form | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U73
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![BU of 4u73 by Molmil](/molmil-images/mine/4u73) | |
5YKP
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![BU of 5ykp by Molmil](/molmil-images/mine/5ykp) | Human methionine aminopeptidase type 1b (F309M mutant) in complex with ovalicin | Descriptor: | 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Pillalamarri, V, Addlagatta, A. | Deposit date: | 2017-10-15 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem. J., 476, 2019
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5YR4
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![BU of 5yr4 by Molmil](/molmil-images/mine/5yr4) | Human methionine aminopeptidase type 1b (F309M mutant) in complex with TNP470 | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, COBALT (II) ION, GLYCEROL, ... | Authors: | Arya, T, Pillalamarri, V, Addlagatta, A. | Deposit date: | 2017-11-08 | Release date: | 2018-11-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem. J., 476, 2019
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7LMI
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![BU of 7lmi by Molmil](/molmil-images/mine/7lmi) | SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMH
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![BU of 7lmh by Molmil](/molmil-images/mine/7lmh) | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMJ
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![BU of 7lmj by Molmil](/molmil-images/mine/7lmj) | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-(4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMG
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![BU of 7lmg by Molmil](/molmil-images/mine/7lmg) | SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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8SF8
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![BU of 8sf8 by Molmil](/molmil-images/mine/8sf8) | Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | Descriptor: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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4IKT
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![BU of 4ikt by Molmil](/molmil-images/mine/4ikt) | Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(5-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Addlagatta, A, Kishor, C, Arya, T. | Deposit date: | 2012-12-28 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases J.Med.Chem., 56, 2013
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4IKR
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![BU of 4ikr by Molmil](/molmil-images/mine/4ikr) | Crystal structure of Type 1 human methionine aminopeptidase in complex with 2-(4-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)piperazin-1-yl)ethanol | Descriptor: | 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol, COBALT (II) ION, GLYCEROL, ... | Authors: | Addlagatta, A, Kishor, C, Arya, T. | Deposit date: | 2012-12-28 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases J.Med.Chem., 56, 2013
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4IKU
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![BU of 4iku by Molmil](/molmil-images/mine/4iku) | Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with 2-((5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)amino)-3-phenylpropanamide | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide, ... | Authors: | Addlagatta, A, Kishor, C, Arya, T. | Deposit date: | 2012-12-28 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases J.Med.Chem., 56, 2013
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