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6JE0
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BU of 6je0 by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 30 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6JDZ
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BU of 6jdz by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 20 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6JE1
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BU of 6je1 by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 40 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
3GIF
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BU of 3gif by Molmil
Crystal structure of DesKC_H188E in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
3EGX
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BU of 3egx by Molmil
Crystal structure of the mammalian COPII-coat protein Sec23a/24a complexed with the SNARE protein Sec22b and bound to the transport signal sequence of the SNARE protein Bet1
Descriptor: 9-residue synthetic peptide from SNARE protein Bet1, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
Authors:Goldberg, J, Mancias, J.D.
Deposit date:2008-09-11
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of cargo membrane protein discrimination by the human COPII coat machinery.
Embo J., 27, 2008
3ESZ
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BU of 3esz by Molmil
K2AK3A Flavodoxin from Anabaena
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, GLYCEROL, ...
Authors:Herguedas, B, Martinez-Julvez, M, Hermoso, J, Goni, G, Medina, M.
Deposit date:2008-10-06
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
2FIM
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BU of 2fim by Molmil
Structure of the C-terminal domain of Human Tubby-like protein 1
Descriptor: 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1
Authors:Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C.
Deposit date:2005-12-29
Release date:2006-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of Human Tubby-like protein 1
To be published
6JDY
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BU of 6jdy by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 120 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
8W1N
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BU of 8w1n by Molmil
Structure of transthyretin pathogenic mutation A120S
Descriptor: Transthyretin
Authors:Ferguson, J.A, Stanfield, R.L, Wright, P.E.
Deposit date:2024-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin
To Be Published
5P9J
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BU of 5p9j by Molmil
BTK1 COCRYSTALLIZED WITH IBRUTINIB
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9I
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BU of 5p9i by Molmil
BTK1 SOAKED WITH IBRUTINIB-Rev
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9H
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BU of 5p9h by Molmil
BTK1 COCRYSTALLIZED WITH RN983
Descriptor: 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9G
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BU of 5p9g by Molmil
Structure of BTK with RN486
Descriptor: 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9M
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BU of 5p9m by Molmil
BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
Descriptor: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9L
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BU of 5p9l by Molmil
BTK1 IN COMPLEX WITH CC 292
Descriptor: Tyrosine-protein kinase BTK, ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9F
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BU of 5p9f by Molmil
BTK IN COMPLEX WITH GDC-0834
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ...
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
6NUJ
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BU of 6nuj by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor BI-224436
Descriptor: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-02-01
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.100027 Å)
Cite:HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors.
Elife, 8, 2019
5ZBT
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BU of 5zbt by Molmil
Structure of legume lectin-like domain from Entamoeba histolytica
Descriptor: Lectin-like protein
Authors:Khan, F, Suguna, K.
Deposit date:2018-02-12
Release date:2019-02-20
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the legume lectin-like domain of an ERGIC-53-like protein from Entamoeba histolytica
Acta Crystallogr F Struct Biol Commun, 75, 2019
2IVJ
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BU of 2ivj by Molmil
Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
2IVI
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BU of 2ivi by Molmil
Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
2IBN
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BU of 2ibn by Molmil
Crystal structure of Human myo-Inositol Oxygenase (MIOX)
Descriptor: (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ...
Authors:Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2006-09-11
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
J.Biol.Chem., 283, 2008
2HE7
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BU of 2he7 by Molmil
FERM domain of EPB41L3 (DAL-1)
Descriptor: Band 4.1-like protein 3
Authors:Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Schiavone, L.H, Johansson, I, Hogbom, M, Karlberg, T, Kotenyova, T, Nilvebrandt, J, Norberg, P, Stenmark, P, Nordlund, P, Nilsson-ehle, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van den berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B).
J.Biol.Chem., 286, 2011
2NMP
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BU of 2nmp by Molmil
Crystal structure of human Cystathionine gamma lyase
Descriptor: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE
Authors:Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van-den-Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-10-23
Release date:2006-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
3L8W
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Urate oxidase from aspergillus flavus complexed with xanthin
Descriptor: SODIUM ION, Uricase, XANTHINE, ...
Authors:Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M.
Deposit date:2010-01-04
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1 Å)
Cite:Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010

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