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7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
7WI0
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BU of 7wi0 by Molmil
SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
4KC4
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BU of 4kc4 by Molmil
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
4KC1
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BU of 4kc1 by Molmil
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
4KC2
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BU of 4kc2 by Molmil
Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate
Descriptor: 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ...
Authors:Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M.
Deposit date:2013-04-24
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19, 2013
7YH5
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BU of 7yh5 by Molmil
MazG(Mycobacterium tuberculosis)
Descriptor: MAGNESIUM ION, Nucleoside triphosphate pyrophosphohydrolase
Authors:Li, J, Wang, S.
Deposit date:2022-07-12
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of the housecleaning nucleoside triphosphate pyrophosphohydrolase MazG from Mycobacterium tuberculosis.
Front Microbiol, 14, 2023
2I8E
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BU of 2i8e by Molmil
Structure of SSO1404, a predicted DNA repair-associated protein from Sulfolobus solfataricus P2
Descriptor: Hypothetical protein, IODIDE ION
Authors:Wang, S, Zimmerman, M.D, Kudritska, M, Chruszcz, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-09-01
Release date:2006-09-26
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A novel family of sequence-specific endoribonucleases associated with the clustered regularly interspaced short palindromic repeats.
J.Biol.Chem., 283, 2008
8FF4
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BU of 8ff4 by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex (composite) in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-07
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FF5
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BU of 8ff5 by Molmil
Cryo-EM structure of Cascade-DNA-fullRloop in type I-B CAST system
Descriptor: Non-target DNA strand, Nostoc sp. 'Peltigera membranacea cyanobiont' 210A, RNA, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-07
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
5WIU
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BU of 5wiu by Molmil
Structure of the human D4 Dopamine receptor in complex with Nemonapride
Descriptor: D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ...
Authors:Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5WIV
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BU of 5wiv by Molmil
Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride
Descriptor: D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ...
Authors:Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
6J66
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BU of 6j66 by Molmil
Chondroitin sulfate/dermatan sulfate endolytic 4-O-sulfatase
Descriptor: CALCIUM ION, Chondroitin sulfate/dermatan sulfate 4-O-endosulfatase protein
Authors:Gu, L, Li, F, Su, T, Wang, S.
Deposit date:2019-01-14
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Comparative Study of Two Chondroitin Sulfate/Dermatan Sulfate 4-O-Sulfatases With High Identity.
Front Microbiol, 10, 2019
2MAU
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BU of 2mau by Molmil
Solution structure of alpha-amylase inhibitor wrightide R1 (wR1) peptide from Wrightia religiosa
Descriptor: Wrightide R1
Authors:Wang, S, Nguyen, Q, Tam, J.
Deposit date:2013-07-17
Release date:2014-07-23
Last modified:2019-12-25
Method:SOLUTION NMR
Cite:Discovery and characterization of pseudocyclic cystine-knot alpha-amylase inhibitors with high resistance to heat and proteolytic degradation.
Febs J., 281, 2014
2MUR
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BU of 2mur by Molmil
Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
Descriptor: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
Authors:Wang, S, Wojtaszek, J.L, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
1CN0
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BU of 1cn0 by Molmil
CRYSTAL STRUCTURE OF D(ACCCT)
Descriptor: DNA (5'-D(*AP*CP*CP*CP*T)-3')
Authors:Weil, J, Min, T, Cheng, Y, Wang, S, Sutherland, C, Sinha, N, Kang, C.
Deposit date:1999-05-24
Release date:2000-05-24
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Stabilization of the i-motif by intramolecular adenine-adenine-thymine base triple in the structure of d(ACCCT).
Acta Crystallogr.,Sect.D, 55, 1999
8W89
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BU of 8w89 by Molmil
Cryo-EM structure of the PEA-bound TAAR1-Gs complex
Descriptor: 2-PHENYLETHYLAMINE, 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:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, 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:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8A
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BU of 8w8a by Molmil
Cryo-EM structure of the RO5256390-TAAR1 complex
Descriptor: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, 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:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W88
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BU of 8w88 by Molmil
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
4TPT
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BU of 4tpt by Molmil
Crystal Structure of the Human LIMK2 Kinase Domain In Complex With a Non-ATP Competitive Inhibitor
Descriptor: LIM domain kinase 2, N-{4-[(1S)-1,2-dihydroxyethyl]benzyl}-N-methyl-4-(phenylsulfamoyl)benzamide
Authors:Goodwin, N.C, Cianchetta, G, Hamman, B.L, Burgoon, H.A, Healy, J, Mabon, S, Strobel, E.D, Wang, S, Rawlins, D.B.
Deposit date:2014-06-09
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation.
Acs Med.Chem.Lett., 6, 2015
4Y21
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BU of 4y21 by Molmil
Crystal Structure of Munc13-1 MUN domain
Descriptor: Protein unc-13 homolog A
Authors:Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C.
Deposit date:2015-02-09
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming.
Nat.Struct.Mol.Biol., 22, 2015
4XNH
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BU of 4xnh by Molmil
Crystal structure of yeast N-terminal acetyltransferase NatE (IP6) in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, ACYH8, CARBOXYMETHYL COENZYME *A, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-01-15
Release date:2016-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase NatE (IP6) in complex with a bisubstrate
To Be Published
4XPD
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BU of 4xpd by Molmil
Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
Descriptor: ACETYL COENZYME *A, CARBOXYMETHYL COENZYME *A, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
Authors:Dong, J, Wang, S, York, J.D.
Deposit date:2015-01-16
Release date:2016-07-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of yeast N-terminal acetyltransferase NatE (ppGpp) in complex with a bisubstrate
To Be Published
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022

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