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6CC8
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BU of 6cc8 by Molmil
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
Descriptor: Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION, methylated CpG DNA
Authors:Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-06
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
6CCG
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BU of 6ccg by Molmil
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
Descriptor: DNA, Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION
Authors:Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
4WKN
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BU of 4wkn by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKO
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BU of 4wko by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4WKP
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BU of 4wkp by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2014-10-02
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
6D6H
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BU of 6d6h by Molmil
Triclinic lysozyme cryocooled to 100 K with 47% MPD as cryoprotectant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Lysozyme C, NITRATE ION
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.000064 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5S
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BU of 6d5s by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, LYSINE, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00003552 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5R
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BU of 6d5r by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00002122 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5Q
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BU of 6d5q by Molmil
Hexagonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00016141 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5N
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BU of 6d5n by Molmil
Hexagonal thermolysin (295) in the presence of 50% xylose
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00003672 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5U
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BU of 6d5u by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, METHANOL, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00009537 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6E
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BU of 6d6e by Molmil
Triclinic lysozyme (295 K) in the presence of 47% xylose
Descriptor: Lysozyme C, NITRATE ION
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5O
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BU of 6d5o by Molmil
Hexagonal thermolysin (295 K) in the presence of 50% DMF
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, LYSINE, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00005221 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6F
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BU of 6d6f by Molmil
Triclinic lysozyme cryocooled to 100 K with 47% xylose as cryoprotectant
Descriptor: Lysozyme C, NITRATE ION, alpha-D-xylopyranose
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D88
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BU of 6d88 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 13f
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2018-04-26
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities.
J. Med. Chem., 61, 2018
6D5P
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BU of 6d5p by Molmil
Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.00010872 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6G
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BU of 6d6g by Molmil
Triclinic lysozyme (295 K) in the presence of 47% MPD
Descriptor: Lysozyme C, NITRATE ION
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5T
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BU of 6d5t by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% MPD as cryoprotectant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, LYSINE, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00003719 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6DZF
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BU of 6dzf by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Juers, D.H.
Deposit date:2018-07-03
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
4YNB
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BU of 4ynb by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ...
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
4YO8
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BU of 4yo8 by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol
Descriptor: Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-11
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
Descriptor: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
Authors:Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
5HYX
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BU of 5hyx by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth
Cell Res., 26, 2016
2A5M
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BU of 2a5m by Molmil
NMR structure of murine gamma-S crystallin from joint refinement with SAXS data
Descriptor: Gamma crystallin S
Authors:Grishaev, A, Wu, J, Trewhella, J, Bax, A.
Deposit date:2005-06-30
Release date:2005-07-19
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Refinement of Multidomain Protein Structures by Combination of Solution Small-Angle X-ray Scattering and NMR Data.
J.Am.Chem.Soc., 127, 2005
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021

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