1IC5
 
 | | CRYSTAL STRUCTURE OF HYHEL-10 FV MUTANT(HD99A)-HEN LYSOZYME COMPLEX | | Descriptor: | IGG1 FAB CHAIN H, LYSOZYME BINDING IG KAPPA CHAIN, LYSOZYME C | | Authors: | Shiroishi, M, Yokota, A, Tsumoto, K, Kondo, H, Nishimiya, Y, Horii, K, Matsushima, M, Ogasahara, K, Yutani, K, Kumagai, I. | | Deposit date: | 2001-03-30 | | Release date: | 2001-07-18 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural evidence for entropic contribution of salt bridge formation to a protein antigen-antibody interaction: the case of hen lysozyme-HyHEL-10 Fv complex.
J.Biol.Chem., 276, 2001
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4AQ9
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5AE8
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | | Descriptor: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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5AE9
 | | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | | Descriptor: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | | Deposit date: | 2015-08-26 | | Release date: | 2015-09-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
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6Y1L
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-12 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y49
 | | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-19 | | Release date: | 2020-09-16 | | Last modified: | 2020-09-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1N
 | | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-12 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5B66
 | | Crystal structure analysis of Photosystem II complex | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Tanaka, A, Fukushima, Y, Kamiya, N. | | Deposit date: | 2016-05-25 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II
J. Am. Chem. Soc., 139, 2017
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5AYH
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5B5E
 | | Crystal structure analysis of Photosystem II complex | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Tanaka, A, Fukushima, Y, Kamiya, N. | | Deposit date: | 2016-05-02 | | Release date: | 2017-02-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II
J. Am. Chem. Soc., 139, 2017
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5AX6
 | | The crystal structure of CofB, the minor pilin subunit of CFA/III from human enterotoxigenic Escherichia coli. | | Descriptor: | ACETATE ION, CofB | | Authors: | Kawahara, K, Oki, K, Fukaksua, F, Maruno, T, Kobayashi, Y, Daisuke, M, Taniguchi, T, Honda, T, Iida, T, Nakamura, S, Ohkubo, T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-03-09 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Homo-trimeric Structure of the Type IVb Minor Pilin CofB Suggests Mechanism of CFA/III Pilus Assembly in Human Enterotoxigenic Escherichia coli
J.Mol.Biol., 428, 2016
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2AR9
 | | Crystal structure of a dimeric caspase-9 | | Descriptor: | Caspase-9, D-MALATE | | Authors: | Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y. | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
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4AQ5
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4Y4S
 | | Crystal Structure of Y75A HasA dimer from Yersinia pseudotuberculosis | | Descriptor: | Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Hino, T, Kanadani, M, Muroki, T, Ishimaru, Y, Wada, Y, Sato, T, Ozaki, S. | | Deposit date: | 2015-02-11 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of heme acquisition system A from Yersinia pseudotuberculosis (HasAypt): Roles of the axial ligand Tyr75 and two distal arginines in heme binding
J.Inorg.Biochem., 151, 2015
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4BWS
 | | Crystal structure of the heterotrimer of PQBP1, U5-15kD and U5-52kD. | | Descriptor: | CD2 ANTIGEN CYTOPLASMIC TAIL-BINDING PROTEIN 2, POLYGLUTAMINE-BINDING PROTEIN 1, THIOREDOXIN-LIKE PROTEIN 4A | | Authors: | Mizuguchi, M, Obita, T, Serita, T, Kojima, R, Morimoto, T, Nabeshima, Y, Okazawa, H. | | Deposit date: | 2013-07-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Nat.Commun., 5, 2014
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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4BWQ
 | | Crystal structure of U5-15kD in a complex with PQBP1 | | Descriptor: | POLYGLUTAMINE-BINDING PROTEIN 1, THIOREDOXIN-LIKE PROTEIN 4A | | Authors: | Mizuguchi, M, Obita, T, Serita, T, Kojima, R, Morimoto, T, Nabeshima, Y, Okazawa, H. | | Deposit date: | 2013-07-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Nat.Commun., 5, 2014
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4CDO
 | | Crystal structure of PQBP1 bound to spliceosomal U5-15kD | | Descriptor: | THIOREDOXIN-LIKE PROTEIN 4A, POLYGLUTAMINE-BINDING PROTEIN | | Authors: | Mizuguchi, M, Obita, T, Serita, T, Kojima, R, Nabeshima, Y, Okazawa, H. | | Deposit date: | 2013-11-05 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Nat.Commun., 5, 2014
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8GRT
 | | Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7 | | Descriptor: | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE | | Authors: | Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
To Be Published
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4EBW
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | Descriptor: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | | Authors: | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | | Deposit date: | 2012-03-25 | | Release date: | 2012-07-25 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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5H5H
 | | Staphylococcus aureus FtsZ-GDP R29A mutant in T state | | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Fujita, J, Harada, R, Maeda, Y, Saito, Y, Mizohata, E, Inoue, T, Shigeta, Y, Matsumura, H. | | Deposit date: | 2016-11-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of the key interactions in structural transition pathway of FtsZ from Staphylococcus aureus
J. Struct. Biol., 198, 2017
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5H5G
 | | Staphylococcus aureus FtsZ-GDP in T and R states | | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Fujita, J, Harada, R, Maeda, Y, Saito, Y, Mizohata, E, Inoue, T, Shigeta, Y, Matsumura, H. | | Deposit date: | 2016-11-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of the key interactions in structural transition pathway of FtsZ from Staphylococcus aureus
J. Struct. Biol., 198, 2017
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2HOQ
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1J1N
 | | Structure Analysis of AlgQ2, A Macromolecule(Alginate)-Binding Periplasmic Protein Of Sphingomonas Sp. A1., Complexed with an Alginate Tetrasaccharide | | Descriptor: | AlgQ2, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid | | Authors: | Momma, K, Mikami, B, Mishima, Y, Hashimoto, W, Murata, K. | | Deposit date: | 2002-12-11 | | Release date: | 2003-06-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of AlgQ2, a macromolecule (alginate)-binding protein of Sphingomonas sp. A1, complexed with an alginate tetrasaccharide at 1.6-A resolution
J.BIOL.CHEM., 278, 2003
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1EVI
 | | THREE-DIMENSIONAL STRUCTURE OF THE PURPLE INTERMEDIATE OF PORCINE KIDNEY D-AMINO ACID OXIDASE | | Descriptor: | 3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Mizutani, H, Miyahara, I, Hirotsu, K, Nishina, Y, Shiga, K, Setoyama, C, Miura, R. | | Deposit date: | 2000-04-20 | | Release date: | 2000-10-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structure of the purple intermediate of porcine kidney D-amino acid oxidase. Optimization of the oxidative half-reaction through alignment of the product with reduced flavin.
J.Biochem.(Tokyo), 128, 2000
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