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4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-27
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
6QNS
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BU of 6qns by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors
Descriptor: Botulinum neurotoxin type B, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Synaptotagmin-1
Authors:Masuyer, G, Yin, L, Zhang, S, Miyashita, S.I, Dong, M, Stenmark, P.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy.
Plos Biol., 18, 2020
2XNI
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BU of 2xni by Molmil
Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates
Descriptor: (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J.
Deposit date:2010-08-02
Release date:2011-08-17
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
8TNT
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BU of 8tnt by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TOO
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BU of 8too by Molmil
Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12
Descriptor: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-03
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TNN
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BU of 8tnn by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
4DFI
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BU of 4dfi by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 mutant FAMP
Descriptor: Poliovirus receptor-related protein 2
Authors:Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
Deposit date:2012-01-23
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
4DFH
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BU of 4dfh by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 variable domain
Descriptor: Poliovirus receptor-related protein 2
Authors:Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
Deposit date:2012-01-23
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
3OMH
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BU of 3omh by Molmil
Crystal structure of PTPN22 in complex with SKAP-HOM pTyr75 peptide
Descriptor: Src kinase-associated phosphoprotein 2, Tyrosine-protein phosphatase non-receptor type 22
Authors:Yu, X, Sun, J.-P, Zhang, S, Zhang, Z.-Y.
Deposit date:2010-08-26
Release date:2011-06-29
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate Specificity of Lymphoid-specific Tyrosine Phosphatase (Lyp) and Identification of Src Kinase-associated Protein of 55 kDa Homolog (SKAP-HOM) as a Lyp Substrate.
J.Biol.Chem., 286, 2011
4OHE
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BU of 4ohe by Molmil
LEOPARD Syndrome-Associated SHP2/G464A mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHD
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BU of 4ohd by Molmil
LEOPARD Syndrome-Associated SHP2/A461T mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHI
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BU of 4ohi by Molmil
LEOPARD Syndrome-Associated SHP2/Q510E mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHL
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BU of 4ohl by Molmil
LEOPARD Syndrome-Associated SHP2/T468M mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHH
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BU of 4ohh by Molmil
LEOPARD Syndrome-Associated SHP2/Q506P mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
6F4E
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BU of 6f4e by Molmil
Crystal structure of the zinc-free catalytic domain of botulinum neurotoxin X
Descriptor: Catalytic domain of botulinum neurotoxin X, DI(HYDROXYETHYL)ETHER
Authors:Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
Deposit date:2017-11-29
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
6F47
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BU of 6f47 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin X
Descriptor: Catalytic domain of botulinum neurotoxin X, ZINC ION
Authors:Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
Deposit date:2017-11-29
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Descriptor: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
5JYY
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BU of 5jyy by Molmil
Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ...
Authors:Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X.
Deposit date:2016-05-15
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses
J.Med.Chem., 59, 2016
8I2H
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BU of 8i2h by Molmil
Follicle stimulating hormone receptor
Descriptor: Follicle-stimulating hormone receptor
Authors:Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
Deposit date:2023-01-14
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8I2G
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BU of 8i2g by Molmil
FSHR-Follicle stimulating hormone-compound 716340-Gs complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
Deposit date:2023-01-14
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
5GWM
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BU of 5gwm by Molmil
Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3
Descriptor: Metabotropic GABA-B receptor subtype 1, Metabotropic GABA-B receptor subtype 3, isoform A
Authors:Liu, X, Zhang, S, Zhang, C.X, Liu, J.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3
To Be Published
4HX1
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BU of 4hx1 by Molmil
Structure of HLA-A68 complexed with a tumor antigen derived peptide
Descriptor: 9-mer peptide from Tyrosinase-related protein-2, Beta-2-microglobulin, GLYCEROL, ...
Authors:Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2012-11-09
Release date:2013-10-02
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
4HWZ
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BU of 4hwz by Molmil
Structure of HLA-A68 complexed with an HIV derived peptide
Descriptor: 9-mer peptide from Pol protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2012-11-09
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
4I48
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BU of 4i48 by Molmil
Structure of HLA-A68 complexed with an HIV Env derived peptide
Descriptor: 9-mer peptide from Envelope glycoprotein gp160, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2012-11-27
Release date:2013-10-02
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
1SMF
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BU of 1smf by Molmil
Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor
Descriptor: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN
Authors:Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C.
Deposit date:1992-10-24
Release date:1994-07-31
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
J.Biochem.(Tokyo), 116, 1994

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