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5NTH
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BU of 5nth by Molmil
Structure of Leucyl aminopeptidase from Leishmania major in complex with actinonin
Descriptor: ACTINONIN, BICARBONATE ION, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NSQ
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BU of 5nsq by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Actinonin
Descriptor: ACTINONIN, Aminopeptidase, putative, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTG
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BU of 5ntg by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma cruzi in complex with citrate
Descriptor: Aminopeptidase, CITRIC ACID, MANGANESE (II) ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
5NTF
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BU of 5ntf by Molmil
apo Structure of Leucyl aminopeptidase from Trypanosoma cruzi
Descriptor: Aminopeptidase, SULFATE ION
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2017
5NSM
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BU of 5nsm by Molmil
unliganded Structure of Leucyl aminopeptidase from Trypanosoma brucei
Descriptor: Aminopeptidase, putative, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-26
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
5NTD
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BU of 5ntd by Molmil
Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
Authors:Timm, J, Wilson, K.
Deposit date:2017-04-27
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
7LQ1
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BU of 7lq1 by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28
Descriptor: CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Lesburg, C.A, Augustin, M.
Deposit date:2021-02-12
Release date:2022-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Discovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Bioorg.Med.Chem.Lett., 42, 2021
353D
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BU of 353d by Molmil
CRYSTAL STRUCTURE OF DOMAIN A OF THERMUS FLAVUS 5S RRNA AND THE CONTRIBUTION OF WATER MOLECULES TO ITS STRUCTURE
Descriptor: RNA (5'-R(*AP*UP*CP*CP*CP*CP*CP*GP*UP*GP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*GP*CP*GP*GP*GP*GP*GP*AP*U)-3')
Authors:Betzel, C, Lorenz, S, Furste, J.P, Bald, R, Zhang, M, Schneider, T.R, Wilson, K.S, Erdmann, V.A.
Deposit date:1997-09-29
Release date:1997-11-10
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of domain A of Thermus flavus 5S rRNA and the contribution of water molecules to its structure.
FEBS Lett., 351, 1994
3ZSE
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BU of 3zse by Molmil
3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca
Descriptor: 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose
Authors:Lammerts van Bueren, A, Otani, S, Friis, E.P, S Wilson, K, Davies, G.J.
Deposit date:2011-06-27
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Three-Dimensional Structure of a Thermophilic Family Gh11 Xylanase from Thermobifida Fusca.
Acta Crystallogr.,Sect.F, 68, 2012
2J63
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BU of 2j63 by Molmil
Crystal structure of AP endonuclease LMAP from Leishmania major
Descriptor: AP-ENDONUCLEASE
Authors:Vidal, A.E, Harkiolaki, M, Gallego, C, Castillo-Acosta, V.M, Ruiz-Perez, L.M, Wilson, K.S, Gonzalez-Pacanowska, D.
Deposit date:2006-09-25
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure and DNA Repair Activities of the Ap Endonuclease from Leishmania Major.
J.Mol.Biol., 373, 2007
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Descriptor: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Descriptor: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
6MUL
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BU of 6mul by Molmil
Murine PI3K delta kinsae domain - cpd 1
Descriptor: 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Fischmann, T.O.
Deposit date:2018-10-23
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
1A2I
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BU of 1a2i by Molmil
SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES
Descriptor: CYTOCHROME C3, HEME C
Authors:Messias, A.C, Kastrau, D.H.K, Costa, H.S, Legall, J, Turner, D.L, Santos, H, Xavier, A.V.
Deposit date:1998-01-05
Release date:1998-07-08
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of Desulfovibrio vulgaris (Hildenborough) ferrocytochrome c3: structural basis for functional cooperativity.
J.Mol.Biol., 281, 1998
6PYR
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BU of 6pyr by Molmil
Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)
Descriptor: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Lesburg, C.A, Augustin, M.A.
Deposit date:2019-07-30
Release date:2019-08-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
6PYS
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BU of 6pys by Molmil
Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)
Descriptor: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Lesburg, C.A, Augustin, M.A.
Deposit date:2019-07-30
Release date:2019-08-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
6PYU
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BU of 6pyu by Molmil
Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one)
Descriptor: (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Lesburg, C.A, Augustin, M.A.
Deposit date:2019-07-30
Release date:2019-08-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
1NOA
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BU of 1noa by Molmil
CRYSTAL STRUCTURE OF APO-NEOCARZINOSTATIN AT 0.15 NM RESOLUTION
Descriptor: NEOCARZINOSTATIN
Authors:Teplyakov, A.
Deposit date:1992-12-11
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of apo-neocarzinostatin at 0.15-nm resolution.
Eur.J.Biochem., 213, 1993
1RFE
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BU of 1rfe by Molmil
Crystal structure of conserved hypothetical protein Rv2991 from Mycobacterium tuberculosis
Descriptor: hypothetical protein Rv2991
Authors:Benini, S, Haouz, A, Proux, F, Betton, J.M, Alzari, P, Dodson, G.G, Wilson, K.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-11-08
Release date:2004-12-28
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of Rv2991 from Mycobacterium tuberculosis: An F420binding protein with unknown function.
J. Struct. Biol., 2019
4IWD
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BU of 4iwd by Molmil
Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog
Descriptor: 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor
Authors:Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T.
Deposit date:2013-01-23
Release date:2013-12-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.
J.Med.Chem., 56, 2013
6MUM
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BU of 6mum by Molmil
Murine PI3K delta kinsae domain - cpd 3
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
Authors:Fischmann, T.O.
Deposit date:2018-10-23
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
1TPL
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BU of 1tpl by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF TYROSINE PHENOL-LYASE
Descriptor: SULFATE ION, TYROSINE PHENOL-LYASE
Authors:Antson, A, Demidkina, T, Dauter, Z, Harutyunyan, E, Wilson, K.
Deposit date:1992-11-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of tyrosine phenol-lyase.
Biochemistry, 32, 1993
5P21
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BU of 5p21 by Molmil
REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE CONFORMATION OF H-RAS P21 AT 1.35 ANGSTROMS RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF GTP HYDROLYSIS
Descriptor: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Pai, E.F, Wittinghofer, A, Kabsch, W.
Deposit date:1990-04-30
Release date:1992-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis.
EMBO J., 9, 1990
1GMQ
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BU of 1gmq by Molmil
COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
Descriptor: RIBONUCLEASE SA, SULFATE ION
Authors:Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1GMP
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BU of 1gmp by Molmil
COMPLEX OF RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS WITH 2'-GMP AT 1.7 ANGSTROMS RESOLUTION
Descriptor: GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE SA, SULFATE ION
Authors:Sevcik, J, Hill, C, Dauter, Z, Wilson, K.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex of ribonuclease from Streptomyces aureofaciens with 2'-GMP at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993

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