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9MIE
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BU of 9mie by Molmil
Human NLRP3 complex with compound 2 in the closed hexamer
Descriptor: (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ...
Authors:Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X.
Deposit date:2024-12-12
Release date:2025-02-26
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
Deposit date:2015-07-21
Release date:2015-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
Descriptor: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
Authors:Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
Deposit date:2015-07-21
Release date:2015-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
1WT9
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BU of 1wt9 by Molmil
crystal structure of Aa-X-bp-I, a snake venom protein with the activity of binding to coagulation factor X from Agkistrodon acutus
Descriptor: CALCIUM ION, agkisacutacin A chain, anticoagulant protein-B
Authors:Zhu, Z, Liu, S, Mo, X, Yu, X, Liang, Z, Zang, J, Zhao, W, Teng, M, Niu, L.
Deposit date:2004-11-18
Release date:2006-03-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Characterizations and Crystal structures of two snake venom proteins with the activity of binding coagulation factor X from Agkistrodon acutus
To be Published
1Y17
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BU of 1y17 by Molmil
crystal structure of Aa-X-bp-II, a snake venom protein with the activity of binding to coagulation factor X from Agkistrodon acutus
Descriptor: CALCIUM ION, anticoagulant protein A, anticoagulant protein-B
Authors:Zhu, Z, Liu, S, Mo, X, Yu, X, Liang, Z, Zang, J, Zhao, W, Teng, M, Niu, L.
Deposit date:2004-11-17
Release date:2006-03-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterizations and Crystal structures of two snake venom proteins with the activity of binding coagulation factor X from Agkistrodon acutus
To be Published
6PWC
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BU of 6pwc by Molmil
A complex structure of arrestin-2 bound to neurotensin receptor 1
Descriptor: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
Authors:Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E.
Deposit date:2019-07-22
Release date:2019-12-04
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
1OS5
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BU of 1os5 by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
Descriptor: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
Authors:Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
Deposit date:2003-03-18
Release date:2004-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
6KZQ
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BU of 6kzq by Molmil
structure of PTP-MEG2 and NSF-pY83 peptide complex
Descriptor: NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
6L03
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BU of 6l03 by Molmil
structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex
Descriptor: Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
5KUA
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BU of 5kua by Molmil
Cryo-EM reconstruction of Neisseria meningitidis Type IV pilus
Descriptor: pilin
Authors:Kolappan, S, Coureuil, M, Yu, X, Nassif, X, Craig, L, Egelman, E.H.
Deposit date:2016-07-13
Release date:2016-10-12
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structure of the Neisseria meningitidis Type IV pilus.
Nat Commun, 7, 2016
6RYO
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BU of 6ryo by Molmil
Bacterial membrane enzyme structure by the in meso method at 1.9 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, ...
Authors:Huang, C.Y, Olatunji, S, Bailey, J, Yu, X, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin.
Nat Commun, 11, 2020
6SB3
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BU of 6sb3 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pre-pore form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6SB4
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BU of 6sb4 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 2
Descriptor: Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Ginger, L, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6SB5
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BU of 6sb5 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pore form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
Authors:Ni, T, Yu, X, Gilbert, R.J.C.
Deposit date:2019-07-18
Release date:2020-02-05
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6RYP
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BU of 6ryp by Molmil
Bacterial membrane enzyme structure by the in meso method at 2.3 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Lipoprotein signal peptidase, ...
Authors:Huang, C.Y, Olatunji, S, Bailey, J, Yu, X, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin.
Nat Commun, 11, 2020
3MOW
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BU of 3mow by Molmil
Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
Descriptor: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X.
Deposit date:2010-04-23
Release date:2011-05-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
8HQN
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BU of 8hqn by Molmil
Activation mechanism of GPR132 by 9(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQM
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BU of 8hqm by Molmil
Activation mechanism of GPR132 by NPGLY
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HVI
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BU of 8hvi by Molmil
Activation mechanism of GPR132 by compound NOX-6-7
Descriptor: 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-26
Release date:2023-10-11
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQE
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BU of 8hqe by Molmil
Cryo-EM structure of the apo-GPR132-Gi
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
6UZ8
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BU of 6uz8 by Molmil
Cryo-EM structure of human TRPC6 in complex with agonist AM-0883
Descriptor: (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone, 2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL HEMISUCCINATE, ...
Authors:Bai, Y, Yu, X, Huang, X, Chen, H.
Deposit date:2019-11-14
Release date:2020-03-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
6UZA
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BU of 6uza by Molmil
Cryo-EM structure of human TRPC6 in complex with antagonist AM-1473
Descriptor: 2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile, CHOLESTEROL HEMISUCCINATE, ...
Authors:Bai, Y, Yu, X, Huang, X, Chen, H.
Deposit date:2019-11-14
Release date:2020-03-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
6OGE
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BU of 6oge by Molmil
Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ...
Authors:Hao, Y, Yu, X, Bai, Y, Huang, X.
Deposit date:2019-04-02
Release date:2019-05-15
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex.
Plos One, 14, 2019
5HAD
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BU of 5had by Molmil
Crystal structure of intermembrane space region of chloroplast protein ARC6
Descriptor: 1,2-ETHANEDIOL, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Yu, X.
Deposit date:2015-12-30
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
1EP9
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BU of 1ep9 by Molmil
HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CONFORMATIONAL CHANGE
Descriptor: ORNITHINE TRANSCARBAMYLASE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
Authors:Shi, D, Morizono, H, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2000-03-28
Release date:2001-04-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human ornithine transcarbamylase: crystallographic insights into substrate recognition and conformational changes.
Biochem.J., 354, 2001

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