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8RX7
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BU of 8rx7 by Molmil
LTA4 hydrolase in complex with compound2
Descriptor: 5-(4-phenoxyphenyl)-1~{H}-imidazole, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 2024
8RX9
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BU of 8rx9 by Molmil
LTA4 hydrolase in complex with compound3
Descriptor: 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 2024
8RX3
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BU of 8rx3 by Molmil
LTA4 hydrolase in complex with CTX-4430
Descriptor: 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2024-02-06
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 2024
4Q6R
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BU of 4q6r by Molmil
Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Descriptor: 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivas, H.
Deposit date:2014-04-23
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis.
J.Med.Chem., 57, 2014
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
8QOW
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BU of 8qow by Molmil
LTA4 hydrolase in complex with compound 2(S)
Descriptor: (2~{S})-2-azanyl-3-[3-[4-[3-fluoranyl-5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2023-09-29
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
8QQ4
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BU of 8qq4 by Molmil
LTA4 hydrolase in complex with compound 6(R)
Descriptor: (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2023-10-03
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
8QPN
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BU of 8qpn by Molmil
LTA4 hydrolase in complex with compound 6(S)
Descriptor: (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2023-10-02
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
6SJ7
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BU of 6sj7 by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and Indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Srinivas, H.
Deposit date:2019-08-12
Release date:2019-12-18
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
7AUZ
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BU of 7auz by Molmil
LTA4 hydrolase in complex with compound LYS006
Descriptor: (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2020-11-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV0
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BU of 7av0 by Molmil
LTA4 hydrolase in complex with compound R(13)
Descriptor: (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2020-11-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV1
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BU of 7av1 by Molmil
LTA4 hydrolase in complex with fragment2
Descriptor: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2020-11-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV2
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BU of 7av2 by Molmil
LTA4 hydrolase in complex with fragment1
Descriptor: (4-phenoxyphenyl)methanol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2020-11-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
Descriptor: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
Authors:Srinivas, H.
Deposit date:2019-11-07
Release date:2020-08-26
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
Descriptor: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
Authors:Srinivas, H.
Deposit date:2019-11-07
Release date:2020-08-26
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6END
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BU of 6end by Molmil
LTA4 hydrolase in complex with Compound15
Descriptor: 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
6ENC
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BU of 6enc by Molmil
LTA4 hydrolase in complex with Compound11
Descriptor: 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
6ENB
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BU of 6enb by Molmil
LTA4 hydrolase (E297Q) mutant in complex with Pro-Gly-Pro peptide
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
6GG0
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BU of 6gg0 by Molmil
Cryo-EM structure of BK polyomavirus like particle in complex with single chain antibody ScFv41F17
Descriptor: Capsid protein VP1, Heavy chain, light chain
Authors:Srinivas, H.
Deposit date:2018-05-02
Release date:2019-03-06
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Human Memory B Cells Harbor Diverse Cross-Neutralizing Antibodies against BK and JC Polyomaviruses.
Immunity, 50, 2019
7ZYJ
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BU of 7zyj by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with compound 2
Descriptor: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
Authors:Srinivas, H.
Deposit date:2022-05-24
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Discovery of Novel Quinoline-Based Proteasome Inhibitors for Human African Trypanosomiasis (HAT).
J.Med.Chem., 65, 2022
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
Authors:Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
Deposit date:2019-09-18
Release date:2019-12-18
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Descriptor: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
Deposit date:2019-09-20
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020

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