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7LMT
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BU of 7lmt by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
Descriptor: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
Authors:Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-02-05
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
To Be Published
8B4L
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BU of 8b4l by Molmil
Crystal structure of a selenomethionine-labeled hydropyrene synthase (M75L variant) in its closed conformation
Descriptor: 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, Terpene synthase
Authors:Helmer, C.P.O, Driller, R, Loll, B.
Deposit date:2022-09-20
Release date:2023-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:crystal structure of s hydropyrene synthase in its closed conformation
To Be Published
5JU7
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BU of 5ju7 by Molmil
DNA BINDING DOMAIN OF E.COLI CADC
Descriptor: Transcriptional activator CadC, ZINC ION
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2016-05-10
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator.
Sci Rep, 7, 2017
5I9J
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BU of 5i9j by Molmil
Structure of the cholesterol and lutein-binding domain of human STARD3 at 1.74A
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, SULFATE ION, ...
Authors:Horvath, M.P, Bernstein, P.S, Li, B, George, E.W, Tran, Q.T.
Deposit date:2016-02-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of the lutein-binding domain of human StARD3 at 1.74 angstrom resolution and model of a complex with lutein.
Acta Crystallogr.,Sect.F, 72, 2016
4X8N
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BU of 4x8n by Molmil
Crystal structure of Ash2L SPRY domain in complex with phosphorylated RbBP5
Descriptor: Retinoblastoma-binding protein 5, Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Zhang, P, Chaturvedi, C.P, Brunzelle, J.S, Skiniotis, G, Brand, M, Shilatifard, A, Couture, J.-F.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A phosphorylation switch on RbBP5 regulates histone H3 Lys4 methylation.
Genes Dev., 29, 2015
4XLY
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BU of 4xly by Molmil
The complex structure of KS-D75C with substrate CPP
Descriptor: (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150
Authors:Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
Deposit date:2015-01-14
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
4XLX
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BU of 4xlx by Molmil
Crystal structure of BjKS from Bradyrhizobium japonicum
Descriptor: Uncharacterized protein blr2150
Authors:Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T.
Deposit date:2015-01-14
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
6D1O
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BU of 6d1o by Molmil
FT_5 dioxygenase apoenzyme
Descriptor: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase
Authors:Rydel, T.J, Halls, C.E.
Deposit date:2018-04-12
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6WRL
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BU of 6wrl by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week
Descriptor: ACETATE ION, Lysozyme, Rhodium, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6WRM
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BU of 6wrm by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month
Descriptor: (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ...
Authors:Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-04-29
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
6BKV
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BU of 6bkv by Molmil
Crystal structure of Thioredoxin from Helicobacter pylori (strain G27)
Descriptor: Thioredoxin
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-11-09
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of Thioredoxin from Helicobacter pylori (strain G27)
To be Published
6BWT
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BU of 6bwt by Molmil
2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase from Francisella tularensis.
Descriptor: CHLORIDE ION, SULFATE ION, Thioredoxin reductase
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-12-15
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:2.45 Angstrom Resolution Crystal Structure Thioredoxin Reductase from Francisella tularensis.
To Be Published
8TT7
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BU of 8tt7 by Molmil
NMR Assignments and Structure for the Dimeric Kinesin Neck Domain
Descriptor: Kinesin heavy chain isoform 5C
Authors:Alexandrescu, A.T.
Deposit date:2023-08-12
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR assignments and structure for the dimeric kinesin neck domain.
Biomol.Nmr Assign., 17, 2023
6DAY
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BU of 6day by Molmil
Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A
Descriptor: 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ...
Authors:Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V.
Deposit date:2018-05-02
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid
To Be Published
4QI0
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BU of 4qi0 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1
Descriptor: 1,2-ETHANEDIOL, Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
6Q62
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BU of 6q62 by Molmil
Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
Descriptor: 1,2-ETHANEDIOL, 1H-indole-2-carboxylic acid, 6-chloroguanine, ...
Authors:Oliveira, A.A, Hyvonen, M, Guido, R.V.C.
Deposit date:2018-12-10
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
To Be Published
6XCG
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BU of 6xcg by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934
Descriptor: Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION
Authors:Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-06-08
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
4TNN
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BU of 4tnn by Molmil
Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification.
Descriptor: Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION
Authors:Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W.
Deposit date:2014-06-04
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
1KR0
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BU of 1kr0 by Molmil
Hevamine Mutant D125A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1KR1
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BU of 1kr1 by Molmil
Hevamine Mutant D125A/E127A in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
6OFW
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BU of 6ofw by Molmil
Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate
Descriptor: 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION
Authors:Oliveira, A.A, Guido, R.V.C, Maluf, F.V, Bueno, R.V, Lima, G.M.A.
Deposit date:2019-04-01
Release date:2020-04-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Dihydropteroate synthase from Xanthomonas albilineans in complex with 7,8-dihydropteroate
To Be Published
1KQY
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BU of 1kqy by Molmil
Hevamine Mutant D125A/E127A/Y183F in Complex with Penta-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hevamine A, ...
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and characterization of active site mutants of hevamine, a chitinase from the rubber tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1KQZ
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BU of 1kqz by Molmil
Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1L1Y
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BU of 1l1y by Molmil
The Crystal Structure and Catalytic Mechanism of Cellobiohydrolase CelS, the Major Enzymatic Component of the Clostridium thermocellum cellulosome
Descriptor: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, cellobiohydrolase
Authors:Guimaraes, B.G, Souchon, H, Lytle, B.L, Wu, J.H.D, Alzari, P.M.
Deposit date:2002-02-20
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure and catalytic mechanism of cellobiohydrolase CelS, the major enzymatic component of the Clostridium thermocellum Cellulosome.
J.Mol.Biol., 320, 2002
1L2A
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BU of 1l2a by Molmil
The Crystal Structure and Catalytic Mechanism of Cellobiohydrolase CelS, the Major Enzymatic Component of the Clostridium thermocellum cellulosome
Descriptor: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, cellobiohydrolase
Authors:Guimaraes, B.G, Souchon, H, Lytle, B.L, Wu, J.H.D, Alzari, P.M.
Deposit date:2002-02-20
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure and catalytic mechanism of cellobiohydrolase CelS, the major enzymatic component of the Clostridium thermocellum Cellulosome.
J.Mol.Biol., 320, 2002

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