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2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
1XTM
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BU of 1xtm by Molmil
Crystal structure of the double mutant Y88H-P104H of a SOD-like protein from Bacillus subtilis.
Descriptor: COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION
Authors:Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Fantoni, A, Viezzoli, M.S.
Deposit date:2004-10-22
Release date:2005-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
3A85
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BU of 3a85 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A80
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BU of 3a80 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid, CALCIUM ION, Cationic trypsin
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
6WJD
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BU of 6wjd by Molmil
SA-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-13
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
3A7X
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BU of 3a7x by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
2C8L
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BU of 2c8l by Molmil
Crystal Structure of (SR) Calcium-ATPase E2(Tg) form
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Jensen, A.M, Sorensen, T.L, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2005-12-06
Release date:2006-06-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump
Embo J., 25, 2006
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
Descriptor: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
2M9A
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BU of 2m9a by Molmil
Solution NMR Structure of E3 ubiquitin-protein ligase ZFP91 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7784A
Descriptor: E3 ubiquitin-protein ligase ZFP91, ZINC ION
Authors:Pederson, K, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-05
Release date:2013-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of Hr7784A
To be Published
1XTL
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BU of 1xtl by Molmil
Crystal structure of P104H mutant of SOD-like protein from Bacillus subtilis.
Descriptor: COPPER (II) ION, Hypothetical superoxide dismutase-like protein yojM, ZINC ION
Authors:Calderone, V, Mangani, S, Banci, L, Benvenuti, M, Bertini, I, Viezzoli, M.S, Fantoni, A.
Deposit date:2004-10-22
Release date:2005-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
4BFD
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BU of 4bfd by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor: BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(1S,3S,6S)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide, ...
Authors:Banner, D.W, Benz, J, Stihle, M.
Deposit date:2013-03-18
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
4BEK
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BU of 4bek by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
Descriptor: (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Benz, J, Stihle, M.
Deposit date:2013-03-11
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Bace1 Inhibitors: A Head Group Scan on a Series of Amides.
Bioorg.Med.Chem.Lett., 23, 2013
3A81
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BU of 3a81 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A0B
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BU of 3a0b by Molmil
Crystal structure of Br-substituted Photosystem II complex
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R.
Deposit date:2009-03-16
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
3A0H
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BU of 3a0h by Molmil
Crystal structure of I-substituted Photosystem II complex
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ...
Authors:Kawakami, K, Umena, Y, Kamiya, N, Shen, J.-R.
Deposit date:2009-03-17
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Location of chloride and its possible functions in oxygen-evolving photosystem II revealed by X-ray crystallography
Proc.Natl.Acad.Sci.USA, 106, 2009
2A0N
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BU of 2a0n by Molmil
Crystal structure of Imidazole glycerol phosphate synthase subunit hisF (EC 4.1.3.-) (tm1036) from Thermotoga maritima at 1.64 A resolution
Descriptor: IODIDE ION, Imidazole glycerol phosphate synthase subunit hisF, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-06-16
Release date:2005-07-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Imidazole glycerol phosphate synthase subunit hisF (EC 4.1.3.-) (tm1036) from Thermotoga maritima at 1.64 A resolution
To be published
3A89
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BU of 3a89 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 4 hours)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7Y
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BU of 3a7y by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide (soaking 2hours)
Descriptor: (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
1KGI
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BU of 1kgi by Molmil
Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac)
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN
Authors:Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
Deposit date:2001-11-27
Release date:2002-11-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
3A7Z
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BU of 3a7z by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide (soaking 3hours)
Descriptor: (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8B
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BU of 3a8b by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide
Descriptor: (E)-4-((4-bromophenylimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A84
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BU of 3a84 by Molmil
Crystal Structure of Trypsin complexed with(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 5 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3AUS
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BU of 3aus by Molmil
Crystal structure of Bacillus megaterium glucose dehydrogenase 4 in ligand-free form
Descriptor: Glucose 1-dehydrogenase 4
Authors:Nishioka, T, Yasutake, Y, Nishiya, Y, Tamura, T.
Deposit date:2011-02-16
Release date:2012-02-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided mutagenesis for the improvement of substrate specificity of Bacillus megaterium glucose 1-dehydrogenase IV
Febs J., 279, 2012
2KXQ
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BU of 2kxq by Molmil
Solution Structure of Smurf2 WW2 and WW3 bound to Smad7 PY motif containing peptide
Descriptor: E3 ubiquitin-protein ligase SMURF2, Smad7 PY motif containing peptide
Authors:Chong, A, Lin, H, Wrana, J, Forman-Kay, J.D.
Deposit date:2010-05-11
Release date:2010-10-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity.
Proc.Natl.Acad.Sci.USA, 107, 2010
1BE7
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BU of 1be7 by Molmil
CLOSTRIDIUM PASTEURIANUM RUBREDOXIN C42S MUTANT
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Maher, M, Guss, J.M, Wilce, M, Wedd, A.G.
Deposit date:1998-05-20
Release date:1998-09-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Rubredoxin from Clostridium Pasteurianum: Mutation of the Iron Cysteinyl Ligands to Serine. Crystal and Molecular Structures of the Oxidised and Dithionite-Treated Forms of the Cys42Ser Mutant
J.Am.Chem.Soc., 120, 1998

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