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1ZPC
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Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
Descriptor: 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION
Authors:Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
Deposit date:2005-05-16
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
2Z2W
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BU of 2z2w by Molmil
Human Wee1 kinase complexed with inhibitor PF0335770
Descriptor: CHLORIDE ION, GLYCEROL, N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE, ...
Authors:Squire, C.J, Baker, E.N.
Deposit date:2007-05-29
Release date:2008-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Synthesis and Structure-Activity Relationships of 9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones and Related Formamides as Inhibitors of the Wee1 and Chk1 Checkpoint Kinases
To be Published
1YZG
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BU of 1yzg by Molmil
Structure of Human ADP-ribosylation factor-like 8
Descriptor: ADP-ribosylation factor-like 8, GUANOSINE-5'-DIPHOSPHATE
Authors:Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2005-02-28
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Human ADP-ribosylation factor-like 8
To be Published, 2005
2EE2
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BU of 2ee2 by Molmil
Solution structures of the fn3 domain of human contactin 1
Descriptor: Contactin-1
Authors:Sato, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-15
Release date:2007-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the fn3 domain of human contactin 1
To be Published
1YZQ
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BU of 1yzq by Molmil
GppNHp-Bound Rab6 GTPase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein RAB6 isoform
Authors:Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G.
Deposit date:2005-02-28
Release date:2005-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
3ITZ
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BU of 3itz by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor
Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
Bioorg.Med.Chem.Lett., 20, 2010
1V6D
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BU of 1v6d by Molmil
The crystal structure of the trypsin complex with synthetic heterochiral peptide
Descriptor: ACETATE ION, CALCIUM ION, METHYLAMINE, ...
Authors:Shamaladevi, N, Pattabhi, V.
Deposit date:2003-11-28
Release date:2004-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Secondary binding site of trypsin: revealed by crystal structure of trypsin-peptide complex.
J.Biomol.Struct.Dyn., 22, 2005
1V2M
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BU of 1v2m by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1
Descriptor: BENZAMIDINE, SULFATE ION, Trypsin
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1Z06
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BU of 1z06 by Molmil
GppNHp-Bound Rab33 GTPase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-33B
Authors:Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G.
Deposit date:2005-03-01
Release date:2005-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1Z0D
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BU of 1z0d by Molmil
GDP-Bound Rab5c GTPase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G.
Deposit date:2005-03-01
Release date:2005-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
1Z3K
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BU of 1z3k by Molmil
Structural Insight into the Binding Diversity between the Tyr-Phosphorylated Human EphrinBs and Nck2 SH2 Domain
Descriptor: Cytoplasmic protein NCK2
Authors:Ran, X, Song, J.
Deposit date:2005-03-14
Release date:2005-03-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural insight into the binding diversity between the Tyr-phosphorylated human ephrinBs and Nck2 SH2 domain.
J.Biol.Chem., 280, 2005
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
2EL4
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BU of 2el4 by Molmil
Solution structure of the 15th zf-C2H2 domain from human Zinc finger protein 268
Descriptor: ZINC ION, Zinc finger protein 268
Authors:Kurosaki, C, Nagashima, T, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-26
Release date:2007-10-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the 15th zf-C2H2 domain from human Zinc finger protein 268
To be Published
2ELQ
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BU of 2elq by Molmil
Solution structure of the 14th C2H2 zinc finger of human Zinc finger protein 406
Descriptor: ZINC ION, Zinc finger protein 406
Authors:Tochio, N, Yoneyama, M, Koshiba, S, Watanabe, S, Harada, T, Umehara, T, Tanaka, A, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-27
Release date:2008-04-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the 14th C2H2 zinc finger of human Zinc finger protein 406
To be Published
2ELY
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BU of 2ely by Molmil
Solution structure of the third zf-C2H2 domain from human Zinc finger protein 224
Descriptor: ZINC ION, Zinc finger protein 224
Authors:Kurosaki, C, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the third zf-C2H2 domain from human Zinc finger protein 224
To be Published
3V04
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BU of 3v04 by Molmil
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
Descriptor: 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S.
Deposit date:2011-12-07
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
2EMI
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BU of 2emi by Molmil
Solution structure of the C2H2 type zinc finger (region 547-579) of human Zinc finger protein 484
Descriptor: ZINC ION, Zinc finger protein 484
Authors:Tomizawa, T, Tochio, N, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 547-579) of human Zinc finger protein 484
To be Published
2EN2
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BU of 2en2 by Molmil
Solution structure of the C2H2 type zinc finger (region 598-626) of human B-cell lymphoma 6 protein
Descriptor: B-cell lymphoma 6 protein, ZINC ION
Authors:Tochio, N, Tomizawa, T, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 598-626) of human B-cell lymphoma 6 protein
To be Published
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
2E0Q
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BU of 2e0q by Molmil
Crystal structure of K53E thioredoxin from Sulfolobus tokodaii strain7
Descriptor: thioredoxin
Authors:Ming, H, Tanokura, M.
Deposit date:2006-10-11
Release date:2007-10-02
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of thioredoxin domain of ST2123 from thermophilic archaea Sulfolobus tokodaii strain7
Proteins, 69, 2007
2E1X
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BU of 2e1x by Molmil
NMR structure of the HIV-2 nucleocapsid protein
Descriptor: Gag-Pol polyprotein (Pr160Gag-Pol), ZINC ION
Authors:Matsui, T, Kodera, Y, Miyauchi, E, Tanaka, H, Endoh, H, Komatsu, H, Tanaka, T, Kohno, T, Maeda, T.
Deposit date:2006-11-03
Release date:2007-06-05
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural role of the secondary active domain of HIV-2 NCp8 in multi-functionality
Biochem.Biophys.Res.Commun., 358, 2007
1Z6Y
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BU of 1z6y by Molmil
Structure Of Human ADP-Ribosylation Factor-Like 5
Descriptor: ADP-ribosylation factor-like protein 5, GUANOSINE-5'-DIPHOSPHATE
Authors:Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2005-03-23
Release date:2005-04-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure Of Human ADP-Ribosylation Factor-Like 5
To be Published
2EMJ
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BU of 2emj by Molmil
Solution structure of the C2H2 type zinc finger (region 612-644) of human Zinc finger protein 28 homolog
Descriptor: ZINC ION, Zinc finger protein 28 homolog
Authors:Tomizawa, T, Tochio, N, Abe, H, Saito, K, Li, H, Sato, M, Koshiba, S, Kobayashi, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-28
Release date:2007-10-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 612-644) of human Zinc finger protein 28 homolog
To be Published

223532

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