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6ITS
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BU of 6its by Molmil
The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: CITRIC ACID, Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F.
Deposit date:2018-11-26
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 112, 2019
6K98
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BU of 6k98 by Molmil
Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
Descriptor: GH12 beta-1, 4-endoglucanase
Authors:Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, yingguo, B, Bin, Y.
Deposit date:2019-06-14
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
To Be Published
6K9D
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BU of 6k9d by Molmil
glycoside hydrolase family 12 (GH12) englucanase
Descriptor: GH12 beta-1, 4-endoglucanase
Authors:Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, Yingguo, B, Bin, Y.
Deposit date:2019-06-14
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family
To Be Published
5XUA
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BU of 5xua by Molmil
The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F, Wang, D.C.
Deposit date:2017-06-23
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 2019
5XUB
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BU of 5xub by Molmil
The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: CITRIC ACID, Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F, Wang, D.C.
Deposit date:2017-06-23
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 2019
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
8QVW
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BU of 8qvw by Molmil
Cryo-EM structure of the peptide binding domain of human SRP68/72
Descriptor: Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72
Authors:Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F.
Deposit date:2023-10-18
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of nPBD of human SRP68/72
To Be Published
1EQX
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BU of 1eqx by Molmil
SOLUTION STRUCTURE DETERMINATION AND MUTATIONAL ANALYSIS OF THE PAPILLOMAVIRUS E6-INTERACTING PEPTIDE OF E6AP
Descriptor: PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN
Authors:Be, X, Hong, Y, Androphy, E.J, Chen, J.J, Baleja, J.D.
Deposit date:2000-04-06
Release date:2001-02-28
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure determination and mutational analysis of the papillomavirus E6 interacting peptide of E6AP.
Biochemistry, 40, 2001
5UJV
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BU of 5ujv by Molmil
Crystal structure of FePYR1 in complex with abscisic acid
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PYR1
Authors:Ren, Z, Wang, Z, Zhou, X.E, Hong, Y, Cao, M, Chan, Z, Liu, X, Shi, H, Xu, H.E, Zhu, J.-K.
Deposit date:2017-01-19
Release date:2017-11-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure determination and activity manipulation of the turfgrass ABA receptor FePYR1.
Sci Rep, 7, 2017
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
Descriptor: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
Authors:Zhou, X, Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 2024
2WZQ
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BU of 2wzq by Molmil
Insertion Mutant E173GP174 of the NS3 protease-helicase from dengue virus
Descriptor: CHLORIDE ION, GLYCEROL, NS3 PROTEASE-HELICASE
Authors:Luo, D, Wei, N, Doan, D, Paradkar, P, Chong, Y, Davidson, A, Kotaka, M, Lescar, J, Vasudevan, S.
Deposit date:2009-12-02
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Flexibility between the Protease and Helicase Domains of the Dengue Virus Ns3 Protein Conferred by the Linker Region and its Functional Implications.
J.Biol.Chem., 285, 2010
5JOM
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BU of 5jom by Molmil
X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
2IU3
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BU of 2iu3 by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
Authors:Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2006-05-27
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
2IU0
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BU of 2iu0 by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
Authors:Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2006-05-26
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
8JMT
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BU of 8jmt by Molmil
Structure of the adhesion GPCR ADGRL3 in the apo state
Descriptor: Adhesion G protein-coupled receptor L3,Soluble cytochrome b562
Authors:Tao, Y, Guo, Q, He, B, Zhong, Y.
Deposit date:2023-06-05
Release date:2023-09-06
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
2LSP
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BU of 2lsp by Molmil
solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide
Descriptor: Bromodomain-containing protein 4, NF-kB-K310ac peptide
Authors:Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M.
Deposit date:2012-05-03
Release date:2012-07-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
2B1G
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BU of 2b1g by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
Authors:Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2005-09-15
Release date:2006-11-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
2B1I
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BU of 2b1i by Molmil
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Descriptor: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
Deposit date:2005-09-15
Release date:2006-11-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase.
J.Biol.Chem., 282, 2007
7DMC
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BU of 7dmc by Molmil
Dipyridamole binds to the N-terminal domain of human Hsp90A
Descriptor: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ...
Authors:Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
7WRM
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BU of 7wrm by Molmil
The malate-bound dimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: (2S)-2-hydroxybutanedioic acid, Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Guo, L, Li, D.F.
Deposit date:2022-01-27
Release date:2023-01-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The repellent response to malate mediated by chemoreceptor MCP2201 in Comamonas testosteroni CNB-1
to be published
8D4Y
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BU of 8d4y by Molmil
C-terminal SANT-SLIDE domain of human Chromodomain-helicase-DNA-binding protein 4 (CHD4)
Descriptor: Chromodomain-helicase-DNA-binding protein 4
Authors:Moghaddas Sani, H, Deshpande, C.N, Panjikar, S, Patel, K, Mackay, J.P.
Deposit date:2022-06-03
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The role of auxiliary domains in modulating CHD4 activity suggests mechanistic commonality between enzyme families.
Nat Commun, 13, 2022
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-04-27
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018

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