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5NID
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BU of 5nid by Molmil
Crystal structure of human LTA4H mutant D375N in open conformation (crystal form II)
Descriptor: Leukotriene A-4 hydrolase, ZINC ION
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NI6
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BU of 5ni6 by Molmil
Crystal structure of human LTA4H mutant D375N in complex with LTA4
Descriptor: 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, ACETIC ACID, Leukotriene A-4 hydrolase, ...
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NI2
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BU of 5ni2 by Molmil
Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form I)
Descriptor: 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4DPR
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BU of 4dpr by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril
Descriptor: ACETIC ACID, GLYCEROL, L-CAPTOPRIL, ...
Authors:Stsiapanava, A, Haeggstrom, J.Z, Rinaldo-Matthis, A.
Deposit date:2012-02-14
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NI4
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BU of 5ni4 by Molmil
Crystal structure of human LTA4H mutant E271A in complex with LTA4 (crystal form II)
Descriptor: 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NIE
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BU of 5nie by Molmil
Crystal structure of human LTA4H mutant R563A in open conformation
Descriptor: Leukotriene A-4 hydrolase, ZINC ION
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-08-11
Release date:2022-03-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-10-28
Release date:2022-03-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
3FWH
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BU of 3fwh by Molmil
Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I.
Deposit date:2009-01-18
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
3G9X
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BU of 3g9x by Molmil
Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I.
Deposit date:2009-02-15
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
3FBW
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BU of 3fbw by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y
Descriptor: BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dohnalek, J, Stsiapanava, A, Gavira, J.A, Kuta Smatanova, I, Kuty, M.
Deposit date:2008-11-20
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
4P7T
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BU of 4p7t by Molmil
Structural insights into higher-order assembly and function of the bacterial microcompartment protein PduA
Descriptor: Polyhedral bodies
Authors:Pickersgill, R.W, Frank, S, Pang, A, Warren, M.J.
Deposit date:2014-03-27
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Insights into Higher Order Assembly and Function of the Bacterial Microcompartment Protein PduA.
J.Biol.Chem., 289, 2014
4HZG
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BU of 4hzg by Molmil
Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Stsiapanava, A, Weiss, M.S, Mesters, J.R, Kuta Smatanova, I.
Deposit date:2012-11-15
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
Descriptor: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:Longenecker, K.L, Korepanova, A, Qiu, W.
Deposit date:2021-10-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
4FWB
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BU of 4fwb by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 in complex with 1, 2, 3 - trichloropropane
Descriptor: 1,2,3-trichloropropane, CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Kuta Smatanova, I.
Deposit date:2012-06-30
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
1CTM
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BU of 1ctm by Molmil
CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION
Descriptor: CYTOCHROME F, HEME C
Authors:Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
Deposit date:1994-01-02
Release date:1994-05-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of chloroplast cytochrome f reveals a novel cytochrome fold and unexpected heme ligation.
Structure, 2, 1994
7ZTZ
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BU of 7ztz by Molmil
Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ...
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
7ZTX
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BU of 7ztx by Molmil
Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ...
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
7ZU2
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BU of 7zu2 by Molmil
Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
7ZU1
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BU of 7zu1 by Molmil
Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
7ZTV
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BU of 7ztv by Molmil
Crystal structure of mutant AR-LBD (F755L) bound to dihydrotestosterone
Descriptor: 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-05-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
Authors:Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
3SK0
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BU of 3sk0 by Molmil
structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I.
Deposit date:2011-06-22
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dynamics and hydration explain failed functional transformation in dehalogenase design.
Nat.Chem.Biol., 10, 2014
3RJA
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BU of 3rja by Molmil
Crystal structure of carbohydrate oxidase from Microdochium nivale in complex with substrate analogue
Descriptor: (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duskova, J, Skalova, T, Kolenko, P, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Dohnalek, J.
Deposit date:2011-04-15
Release date:2012-04-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale
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