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5KLO
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BU of 5klo by Molmil
Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A
Descriptor: (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
Deposit date:2016-06-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KLM
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BU of 5klm by Molmil
Crystal structure of 2-hydroxymuconate-6-semialdehyde derived intermediate in NAD(+)-bound 2-aminomuconate 6-semialdehyde dehydrogenase N169D
Descriptor: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
Deposit date:2016-06-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KLN
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BU of 5kln by Molmil
Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+
Descriptor: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
Deposit date:2016-06-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KLK
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BU of 5klk by Molmil
Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde
Descriptor: (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
Deposit date:2016-06-24
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
4KZJ
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BU of 4kzj by Molmil
Crystal Structure of TR3 LBD L449W Mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4KZI
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BU of 4kzi by Molmil
Crystal Structure of TR3 LBD in complex with DPDO
Descriptor: 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4U7U
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BU of 4u7u by Molmil
Crystal structure of RNA-guided immune Cascade complex from E.coli
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y.
Deposit date:2014-07-31
Release date:2014-08-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli
Nature, 515, 2014
4KZM
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BU of 4kzm by Molmil
Crystal Structure of TR3 LBD S553A Mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
6MQC
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BU of 6mqc by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-c.01 in complex with FP (residue 512-519)
Descriptor: 0PV-C.01 antibody Fab heavy chain, 0PV-C.01 antibody Fab light chain, HIV fusion peptide residue 512-519
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
8SNN
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BU of 8snn by Molmil
Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1
Descriptor: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2
Authors:Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
Deposit date:2023-04-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1
To Be Published
8SNM
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BU of 8snm by Molmil
Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain
Descriptor: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Disintegrin and metalloproteinase domain-containing protein 17 propeptide, ...
Authors:Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
Deposit date:2023-04-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain
To Be Published
6MQM
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BU of 6mqm by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody DF1W-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV Env fusion peptide residue 512-519, antibody Fab heavy chain, antibody Fab light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
2R9N
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BU of 2r9n by Molmil
Cathepsin S complexed with Compound 26
Descriptor: Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
6MQR
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BU of 6mqr by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-a.01 in complex with FP (residue 512-519)
Descriptor: CALCIUM ION, HIV fusion peptide residue 512-519, SULFATE ION, ...
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6CPT
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BU of 6cpt by Molmil
crystal structure of yeast caPDE2 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ...
Authors:Ke, h, Wang, Y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-11-08
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
4N9E
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BU of 4n9e by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
8SNO
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BU of 8sno by Molmil
Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2
Descriptor: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2
Authors:Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
Deposit date:2023-04-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2
To Be Published
8SNL
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BU of 8snl by Molmil
Structure of human ADAM17/iRhom2 sheddase complex
Descriptor: CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2, ...
Authors:Zhao, H, Dai, Y, Wang, Y, Lee, C.H.
Deposit date:2023-04-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structure of human ADAM17/iRhom2 sheddase complex
To Be Published
3JRQ
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BU of 3jrq by Molmil
Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Protein phosphatase 2C 56, Putative uncharacterized protein At5g46790
Authors:Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of abscisic acid signalling
Nature, 462, 2009
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
Descriptor: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.459 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6CPU
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BU of 6cpu by Molmil
Crystal structure of yeast caPDE2
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Ke, H, Wang, y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
4N9B
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BU of 4n9b by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.859 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
8TNN
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BU of 8tnn by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024

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