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1FPF
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BU of 1fpf by Molmil
STRUCTURAL ASPECTS OF THE ALLOSTERIC INHIBITION OF FRUCTOSE-1,6-BISPHOSPHATASE BY AMP: THE BINDING OF BOTH THE SUBSTRATE ANALOGUE 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND CATALYTIC METAL IONS MONITORED BY X-RAY CRYSTALLOGRAPHY
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Huang, S, Zhang, Y, Lipscomb, W.N.
Deposit date:1994-12-15
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural aspects of the allosteric inhibition of fructose-1,6-bisphosphatase by AMP: the binding of both the substrate analogue 2,5-anhydro-D-glucitol 1,6-bisphosphate and catalytic metal ions monitored by X-ray crystallography.
Biochemistry, 34, 1995
8V2L
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BU of 8v2l by Molmil
Crystal structure of IRAK4 kinase domain with compound 8
Descriptor: 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-22
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
8V2F
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BU of 8v2f by Molmil
Crystal structure of IRAK4 kinase domain with compound 9
Descriptor: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-22
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
8V1O
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BU of 8v1o by Molmil
Crystal structure of IRAK4 kinase domain with compound 4
Descriptor: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-21
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
8UYO
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BU of 8uyo by Molmil
Structure of a recombinant human PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2
Authors:Wilkinson, M.E, Madigan, V, Zhang, Y, Zhang, F.
Deposit date:2023-11-13
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Human paraneoplastic antigen Ma2 (PNMA2) forms icosahedral capsids that can be engineered for mRNA delivery.
Proc.Natl.Acad.Sci.USA, 121, 2024
1T7A
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BU of 1t7a by Molmil
Crystal structure of mutant Lys8Asp of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-08
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
1T7E
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BU of 1t7e by Molmil
Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I, PHOSPHATE ION
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
6D2V
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BU of 6d2v by Molmil
Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway
Descriptor: CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ...
Authors:Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2018-04-14
Release date:2018-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
6D34
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BU of 6d34 by Molmil
Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme
Descriptor: ISOPROPYL ALCOHOL, TerC
Authors:Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2018-04-14
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
8WM0
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BU of 8wm0 by Molmil
Crystal structure of TNIK-thiopeptide wTP3 complex
Descriptor: ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase
Authors:Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-10-01
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
7W41
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BU of 7w41 by Molmil
Crystal Structure of Human Gastrin Releasing Peptide Receptor in complex with the antagonist PD176252
Descriptor: (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide, Gastrin-releasing peptide receptor,GlgA glycogen synthase
Authors:Peng, S, Zhan, Y, Zhang, H.
Deposit date:2021-11-26
Release date:2023-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
1P9Z
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BU of 1p9z by Molmil
The Solution Structure of Antifungal Peptide Distinct With a Five-disulfide Motif from Eucommia ulmoides Oliver
Descriptor: Eucommia Antifungal peptide 2
Authors:Huang, R.H, Xiang, Y, Tu, G.Z, Zhang, Y, Wang, D.C.
Deposit date:2003-05-13
Release date:2004-05-25
Last modified:2019-12-25
Method:SOLUTION NMR
Cite:Solution Structure of Eucommia Antifungal Peptide: A Novel Structural Model Distinct with a Five-Disulfide Motif.
Biochemistry, 43, 2004
1T0Z
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BU of 1t0z by Molmil
Structure of an Excitatory Insect-specific Toxin with an Analgesic Effect on Mammalian from Scorpion Buthus martensii Karsch
Descriptor: SULFATE ION, insect neurotoxin
Authors:Li, C, Guan, R.-J, Xiang, Y, Zhang, Y, Wang, D.-C.
Deposit date:2004-04-14
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of an excitatory insect-specific toxin with an analgesic effect on mammals from the scorpion Buthus martensii Karsch.
Acta Crystallogr.,Sect.D, 61, 2005
1T7B
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BU of 1t7b by Molmil
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
7LJC
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BU of 7ljc by Molmil
Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein
Descriptor: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ...
Authors:Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
7LJD
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BU of 7ljd by Molmil
Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein
Descriptor: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
3NR9
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BU of 3nr9 by Molmil
Structure of human CDC2-like kinase 2 (CLK2)
Descriptor: (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2
Authors:Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-06-30
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of human CDC2-like kinase 2 (CLK2)
To be Published
3NPR
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BU of 3npr by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP)
Descriptor: Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
Authors:Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E.
Deposit date:2010-06-28
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NRI
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BU of 3nri by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS)
Descriptor: (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase
Authors:Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E.
Deposit date:2010-06-30
Release date:2010-12-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3J8G
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BU of 3j8g by Molmil
Electron cryo-microscopy structure of EngA bound with the 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
Authors:Zhang, X, Yan, K, Zhang, Y, Li, N, Ma, C, Li, Z, Zhang, Y, Feng, B, Liu, J, Sun, Y, Xu, Y, Lei, J, Gao, N.
Deposit date:2014-10-24
Release date:2014-11-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural insights into the function of a unique tandem GTPase EngA in bacterial ribosome assembly
Nucleic Acids Res., 2014
6BXL
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BU of 6bxl by Molmil
Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM
Descriptor: 2-(3-amino-3-carboxypropyl)histidine synthase, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE
Authors:Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
Deposit date:2017-12-18
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
6BXO
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BU of 6bxo by Molmil
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAH
Descriptor: Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
Deposit date:2017-12-18
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
1P58
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BU of 1p58 by Molmil
Complex Organization of Dengue Virus Membrane Proteins as Revealed by 9.5 Angstrom Cryo-EM reconstruction
Descriptor: Envelope protein M, Major envelope protein E
Authors:Zhang, W, Chipman, P.R, Corver, J, Johnson, P.R, Zhang, Y, Mukhopadhyay, S, Baker, T.S, Strauss, J.H, Rossmann, M.G, Kuhn, R.J.
Deposit date:2003-04-25
Release date:2003-11-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:Visualization of membrane protein domains by cryo-electron microscopy of dengue virus
Nat.Struct.Biol., 10, 2003
8E3S
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BU of 8e3s by Molmil
CryoEM structure of yeast Arginyltransferase 1 (ATE1)
Descriptor: Arginyl-tRNA--protein transferase 1, ZINC ION
Authors:Huang, W, Zhang, Y, Taylor, D.J.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structural basis of tRNA recognition by arginyl-tRNA-protein transferase.
Nat Commun, 14, 2023

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數據於2024-10-16公開中

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