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6AFJ
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BU of 6afj by Molmil
DJ-1 with compound 13
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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BU of 6aff by Molmil
DJ-1 with compound 8
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
4ZML
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BU of 4zml by Molmil
Crystal structure of human P-cadherin (ss-dimer)
Descriptor: CALCIUM ION, CHLORIDE ION, Cadherin-3, ...
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMV
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BU of 4zmv by Molmil
Crystal structure of human P-cadherin (ss-X-dimer pocket I)
Descriptor: CALCIUM ION, Cadherin-3, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMP
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BU of 4zmp by Molmil
Crystal structure of human P-cadherin (ss-dimer Q101L)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMZ
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BU of 4zmz by Molmil
Crystal structure of human P-cadherin (monomer 2)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMO
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BU of 4zmo by Molmil
Crystal structure of human P-cadherin (ss-dimer K14E)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMY
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BU of 4zmy by Molmil
Crystal structure of human P-cadherin (monomer 1)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMN
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BU of 4zmn by Molmil
Crystal structure of human P-cadherin (ss-dimer long)
Descriptor: CALCIUM ION, Cadherin-3, GLYCEROL
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMX
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BU of 4zmx by Molmil
Crystal structure of human P-cadherin (int-X-dimer)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMQ
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BU of 4zmq by Molmil
Crystal structure of human P-cadherin (ss-X-dimer)
Descriptor: CALCIUM ION, Cadherin-3, PENTAETHYLENE GLYCOL
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMW
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BU of 4zmw by Molmil
Crystal structure of human P-cadherin (enc-X-dimer)
Descriptor: CALCIUM ION, Cadherin-3, NICKEL (II) ION, ...
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
4ZMT
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BU of 4zmt by Molmil
Crystal structure of human P-cadherin (ss-X-dimer-long)
Descriptor: CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2015-05-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
5YD4
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BU of 5yd4 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)
Descriptor: Epitope peptide (mutation T6A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
Descriptor: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YD3
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BU of 5yd3 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide
Descriptor: Epitope peptide, GLYCEROL, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5AYU
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BU of 5ayu by Molmil
Crystal structure of HyHEL-10 Fv
Descriptor: GLYCEROL, Ig VH,anti-lysozyme, lysozyme binding Ig kappa chain V23-J2 region
Authors:Nakanishi, T, Tsumoto, K, Yokota, A, Kondo, H, Kumagai, I.
Deposit date:2015-09-04
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of HyHEL-10 Fv
To Be Published
5YY4
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BU of 5yy4 by Molmil
Crystal structure of the scFv antibody 4B08 with sulfated epitope peptide
Descriptor: C-C chemokine receptor type 5, CHLORIDE ION, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-12-07
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody
Biochemistry, 57, 2018
5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
Descriptor: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5CI8
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BU of 5ci8 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 1
Descriptor: Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5YC5
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BU of 5yc5 by Molmil
Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ...
Authors:Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M.
Deposit date:2017-09-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
3VSY
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BU of 3vsy by Molmil
High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
Descriptor: SULFATE ION, Steroid Delta-isomerase
Authors:Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
Deposit date:2012-05-16
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
3VVB
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BU of 3vvb by Molmil
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form
Descriptor: CapE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
Deposit date:2012-07-18
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
3VVC
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BU of 3vvc by Molmil
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE , K126E, in apo form
Descriptor: Capsular polysaccharide synthesis enzyme Cap8E, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
Deposit date:2012-07-18
Release date:2013-06-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
3W1V
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BU of 3w1v by Molmil
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in complex with inihibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capsular polysaccharide synthesis enzyme Cap8E, SODIUM ION, ...
Authors:Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
Deposit date:2012-11-21
Release date:2013-06-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013

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