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6ISK
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BU of 6isk by Molmil
SnoaL-like cyclase XimE
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, XimE, ...
Authors:He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M.
Deposit date:2018-11-16
Release date:2019-11-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
197L
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BU of 197l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
2A8H
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BU of 2a8h by Molmil
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
Descriptor: 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
Authors:Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S.
Deposit date:2005-07-08
Release date:2006-02-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16, 2006
195L
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BU of 195l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
199L
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BU of 199l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
196L
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BU of 196l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
198L
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BU of 198l by Molmil
THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
Authors:Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W.
Deposit date:1995-11-06
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
3UUF
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BU of 3uuf by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ...
Authors:Xu, T, Xu, J, Hou, S, Liu, J.
Deposit date:2011-11-28
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
3UUE
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BU of 3uue by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
Descriptor: CHLORIDE ION, GLYCEROL, LIP1, ...
Authors:Xu, T, Xu, J, Hou, S, Liu, J.
Deposit date:2011-11-28
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
Descriptor: 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
1ZXC
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BU of 1zxc by Molmil
Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor
Descriptor: (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
Authors:Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Zhang, Y, Jin, G, Cowling, R, Barone, D, Skotnicki, J.S.
Deposit date:2005-06-07
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 15, 2005
4ON3
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BU of 4on3 by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
Descriptor: NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Xu, T, Xu, J, Wang, Q, Liu, J.
Deposit date:2014-01-28
Release date:2014-09-24
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
4PZG
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BU of 4pzg by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, NITRATE ION, Sorting nexin-10
Authors:Xu, T, Xu, J, Wang, Q, Liu, J.
Deposit date:2014-03-30
Release date:2014-09-24
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
3VBS
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BU of 3vbs by Molmil
Crystal structure of human Enterovirus 71
Descriptor: Genome Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBU
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BU of 3vbu by Molmil
Crystal structure of empty human Enterovirus 71 particle
Descriptor: Genome Polyprotein, capsid protein VP0, capsid protein VP1, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBH
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BU of 3vbh by Molmil
Crystal structure of formaldehyde treated human enterovirus 71 (space group R32)
Descriptor: CHLORIDE ION, Genome Polyprotein, capsid protein VP1, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBR
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BU of 3vbr by Molmil
Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (room temperature)
Descriptor: Genome Polyprotein, capsid protein VP0, capsid protein VP1, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBF
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BU of 3vbf by Molmil
Crystal structure of formaldehyde treated human Enterovirus 71 (space group I23)
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Genome Polyprotein, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3VBO
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BU of 3vbo by Molmil
Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (cryo at 100K)
Descriptor: Genome Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
Deposit date:2012-01-02
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
6ZS5
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BU of 6zs5 by Molmil
3.5 A cryo-EM structure of human uromodulin filament core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R.
Deposit date:2020-07-15
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
6ZYA
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BU of 6zya by Molmil
Extended human uromodulin filament core at 3.5 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R.
Deposit date:2020-07-31
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
7KH0
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BU of 7kh0 by Molmil
Cryo-EM structure of the human arginine vasopressin AVP-vasopressin receptor V2R-Gs signaling complex
Descriptor: Arg-vasopressin, 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, L, Xu, J, Gao, S, Sun, D, Liu, H, Liu, Z, Du, Y, Zhang, C.
Deposit date:2020-10-19
Release date:2021-05-26
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the AVP-vasopressin receptor 2-G s signaling complex.
Cell Res., 31, 2021
5WZT
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BU of 5wzt by Molmil
Crystal structure of human secreted phospholipase A2 group IIE with Compound 14
Descriptor: 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
5WZO
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BU of 5wzo by Molmil
Crystal structure of human secreted phospholipase A2 group IIE, crystallized with calcium
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017

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