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5DO2
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BU of 5do2 by Molmil
Complex structure of MERS-RBD bound with 4C2 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ...
Authors:Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J.
Deposit date:2015-09-10
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
2VGE
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BU of 2vge by Molmil
Crystal structure of the C-terminal region of human iASPP
Descriptor: RELA-ASSOCIATED INHIBITOR
Authors:Robinson, R.A, Lu, X, Jones, E.Y, Siebold, C.
Deposit date:2007-11-12
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and Structural Studies of Aspp Proteins Reveal Differential Binding to P53, P63 and P73
Structure, 16, 2008
1BL4
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BU of 1bl4 by Molmil
FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND
Descriptor: PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID
Authors:Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D.
Deposit date:1998-07-23
Release date:1998-09-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Descriptor: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
Authors:Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
Deposit date:2022-09-22
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
1FBZ
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BU of 1fbz by Molmil
Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity
Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
Authors:Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T.
Deposit date:2000-07-17
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
3DLP
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BU of 3dlp by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase, Mutant D402P, bound to 4CB
Descriptor: 4-CHLORO-BENZOIC ACID, 4-Chlorobenzoate CoA Ligase/Synthetase
Authors:Wu, R, Cao, J, Reger, A.S, Lu, X, Gulick, A.M, Dunaway-Mariano, D.
Deposit date:2008-06-28
Release date:2009-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase
Biochemistry, 48, 2009
2AAF
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BU of 2aaf by Molmil
Structure of H278A arginine deiminase with L-arginine forming a S-alkylthiouronium reaction intermediate
Descriptor: Arginine deiminase
Authors:Galkin, A, Lu, X, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2005-07-13
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures Representing the Michaelis Complex and the Thiouronium Reaction Intermediate of Pseudomonas aeruginosa Arginine Deiminase.
J.Biol.Chem., 280, 2005
1T5H
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BU of 1t5h by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase unliganded, selenomethionine
Descriptor: 4-chlorobenzoyl CoA ligase, CALCIUM ION
Authors:Gulick, A.M, Lu, X, Dunaway-Mariano, D.
Deposit date:2004-05-04
Release date:2004-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal Structure of 4-Chlorobenzoate:CoA Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States
Biochemistry, 43, 2004
4H32
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BU of 4h32 by Molmil
The crystal structure of the hemagglutinin H17 derived the bat influenza A virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Sun, X, Shi, Y, Lu, X, He, J, Gao, F, Yan, J, Qi, J, Gao, G.F.
Deposit date:2012-09-13
Release date:2013-07-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bat-derived influenza hemagglutinin H17 does not bind canonical avian or human receptors and most likely uses a unique entry mechanism.
Cell Rep, 3, 2013
1T5D
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BU of 1t5d by Molmil
4-Chlorobenzoyl-CoA Ligase/Synthetase bound to 4-chlorobenzoate
Descriptor: 4-CHLORO-BENZOIC ACID, 4-chlorobenzoyl CoA ligase, CALCIUM ION
Authors:Gulick, A.M, Lu, X, Dunaway-Mariano, D.
Deposit date:2004-05-04
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Crystal Structure of 4-Chlorobenzoate:CoA Ligase/Synthetase in the Unliganded and Aryl Substrate-Bound States
Biochemistry, 43, 2004
2LKB
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BU of 2lkb by Molmil
Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels
Descriptor: Neurotoxin MeuNaTx-5
Authors:Zhu, S, Peigneur, S, Gao, B, Lu, X, Cao, C, Tytgat, J.
Deposit date:2011-10-09
Release date:2011-11-02
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels
Mol.Cell Proteomics, 2011
4K67
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BU of 4k67 by Molmil
Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
4K63
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BU of 4k63 by Molmil
Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with avian receptor analog LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
4K65
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BU of 4k65 by Molmil
Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
4K62
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BU of 4k62 by Molmil
Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Indonesia/5/2005
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
4K66
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BU of 4k66 by Molmil
Structure of an airborne transmissible avian influenza H5 hemagglutinin mutant from the influenza virus A/Indonesia/5/2005 complexed with avian receptor analog LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
4K64
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BU of 4k64 by Molmil
Structure of an avian influenza H5 hemagglutinin from the influenza virus complexed with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
Authors:Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-15
Release date:2013-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level.
Science, 340, 2013
6HA6
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BU of 6ha6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J.
Deposit date:2018-08-07
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
To Be Published
6HKP
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BU of 6hkp by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992)
Descriptor: Apoptosis-stimulating of p53 protein 2, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Leissing, T.M, Clifton, I.J, Lu, X, Schofield, C.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992)
To Be Published
6HL6
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BU of 6hl6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J.
Deposit date:2018-09-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
6HL5
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BU of 6hl5 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954)
Descriptor: Apoptosis-stimulating of p53 protein 1, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J.
Deposit date:2018-09-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954)
To Be Published
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
Descriptor: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
Authors:Guo, Y, Wang, S, Nie, Y, Li, S.
Deposit date:2018-06-21
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
6IW4
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BU of 6iw4 by Molmil
Crystal structure of YFV-17D sE in prefusion state
Descriptor: Envelope protein E
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW1
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BU of 6iw1 by Molmil
Crystal structure of YFV-17D sE in postfusion state
Descriptor: Envelope protein E
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW5
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BU of 6iw5 by Molmil
Crystal structure of YFV-China sE in prefusion state
Descriptor: Envelope protein
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019

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