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5GWZ
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BU of 5gwz by Molmil
The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease
Authors:Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H.
Deposit date:2016-09-14
Release date:2017-03-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus
J. Med. Chem., 60, 2017
1WNO
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BU of 1wno by Molmil
Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
Deposit date:2004-08-07
Release date:2005-03-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody Heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
4IAR
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BU of 4iar by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine
Authors:Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IAQ
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BU of 4iaq by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
Descriptor: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
Authors:Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4GUS
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BU of 4gus by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P3221
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUR
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BU of 4gur by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P21
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUT
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BU of 4gut by Molmil
Crystal structure of LSD2-NPAC
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
5C56
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BU of 5c56 by Molmil
Crystal structure of USP7/HAUSP in complex with ICP0
Descriptor: Ubiquitin E3 ligase ICP0, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Cheng, J, Li, Z, Gong, R, Fang, J, Yang, Y, Sun, C, Yang, H, Xu, Y.
Deposit date:2015-06-19
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.685 Å)
Cite:Molecular mechanism for the substrate recognition of USP7.
Protein Cell, 6, 2015
5EU8
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BU of 5eu8 by Molmil
Structure of FIPV main protease in complex with dual inhibitors
Descriptor: 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ...
Authors:Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
Deposit date:2015-11-18
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
1G0H
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BU of 1g0h by Molmil
CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, INOSITOL MONOPHOSPHATASE
Authors:Johnson, K.A, Chen, L, Yang, H, Roberts, M.F, Stec, B.
Deposit date:2000-10-06
Release date:2001-03-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and catalytic mechanism of the MJ0109 gene product: a bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities.
Biochemistry, 40, 2001
1G0I
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BU of 1g0i by Molmil
CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, INOSITOL MONOPHOSPHATASE, MANGANESE (II) ION, ...
Authors:Johnson, K.A, Chen, L, Yang, H, Roberts, M.F, Stec, B.
Deposit date:2000-10-06
Release date:2001-03-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and catalytic mechanism of the MJ0109 gene product: a bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities.
Biochemistry, 40, 2001
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
5GWY
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BU of 5gwy by Molmil
Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, main protease
Authors:Wang, F, Chen, C, Tan, W, Yang, K, Yang, H.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design.
Sci Rep, 6, 2016
3KYS
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BU of 3kys by Molmil
Crystal structure of human YAP and TEAD complex
Descriptor: 65 kDa Yes-associated protein, Transcriptional enhancer factor TEF-1
Authors:Li, Z, Zhao, B, Wang, P, Chen, F, Dong, Z, Yang, H, Guan, K.L, Xu, Y.
Deposit date:2009-12-07
Release date:2010-02-23
Last modified:2020-10-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the YAP and TEAD complex
Genes Dev., 24, 2010
4GU1
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BU of 4gu1 by Molmil
Crystal structure of LSD2
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUU
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BU of 4guu by Molmil
Crystal structure of LSD2-NPAC with tranylcypromine
Descriptor: Lysine-specific histone demethylase 1B, Putative oxidoreductase GLYR1, ZINC ION, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
3M0E
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BU of 3m0e by Molmil
Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family)
Authors:Chen, B, Sysoeva, T.A, Chowdhury, S, Rusu, M, Birmanns, S, Guo, L, Hanson, J, Yang, H, Nixon, B.T.
Deposit date:2010-03-02
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase.
Structure, 18, 2010
4QNP
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BU of 4qnp by Molmil
Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C.
Deposit date:2014-06-18
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
4UBD
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BU of 4ubd by Molmil
Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J.
Deposit date:2014-08-12
Release date:2015-06-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
1LBY
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BU of 1lby by Molmil
Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Manganese ions, Fructose-6-Phosphate, and Phosphate ion
Descriptor: 6-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1LBV
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BU of 1lbv by Molmil
Crystal Structure of apo-form (P21) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus
Descriptor: fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1LBW
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BU of 1lbw by Molmil
Crystal Structure of apo-form (P32) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus
Descriptor: fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1LBZ
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BU of 1lbz by Molmil
Crystal Structure of a complex (P32 crystal form) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with 3 Calcium ions and Fructose-1,6 bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, CALCIUM ION, fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002
1LBX
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BU of 1lbx by Molmil
Crystal Structure of a ternary complex of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus with Calcium ions and D-myo-Inositol-1-Phosphate
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002

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