7TA6
 
 | | Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling.
J.Am.Chem.Soc., 144, 2022
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7TA3
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8GPI
 | | HIV-1 Env X18 UFO in complex with 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPJ
 | | HIV-1 Env X16 UFO in complex with 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPG
 | | HIV-1 Env X18 UFO in complex with F6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GP5
 | | Structure of X18 UFO protomer in complex with F6 Fab VHVL domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab VH domain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPK
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7V8Q
 | | Crystal structure of antibody 14A in complex with MUC1 Glycopeptide(GlycoT) | | Descriptor: | 14A fab heavy chain, 14A fab light chain, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7VAC
 | | Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoST) | | Descriptor: | 14A fab heavy chain, 14A fab light chain, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-28 | | Release date: | 2022-08-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7VAZ
 | | Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS) | | Descriptor: | 14A fab heavy chain, 14A fab light chain, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-30 | | Release date: | 2022-08-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7V64
 | | Crystal structure of Antibody 16A in complex with MUC1 Glycopeptide(GlycoT) | | Descriptor: | 16A fab Heavy chain, 16A fab Light chain, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-19 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7V7K
 | | Crystal structure of Antibody 16A in complex with MUC1 Glycopeptide(GlycoST) | | Descriptor: | 16A fab heavy chain, 16A fab light chain, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-21 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7V3Q
 | | Crystal structure of anti-MUC1 antibody 16A | | Descriptor: | Fab 16A Heavy Chain, Fab 16A Light Chain | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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7V4W
 | | Crystal structure of Antibody 16A in complex with MUC1 peptide | | Descriptor: | 16A Fab Heavy chain, 16A Fab Light chain, Mucin-1 subunit alpha | | Authors: | Niu, J, Xu, L, Meng, B, Han, Y.B, Yang, B. | | Deposit date: | 2021-08-15 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Site-specific GalNAc modification on a MUC1 neoantigen epitope forms a basis for high-affinity antibody binding
To Be Published
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1PPD
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7AAT
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9AAT
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8AAT
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3GSB
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2FAR
 | | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with dATP and Manganese | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | | Deposit date: | 2005-12-07 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
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2DKB
 | | DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES | | Descriptor: | 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Toney, M.D, Hohenester, E, Jansonius, J.N. | | Deposit date: | 1994-07-12 | | Release date: | 1994-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites.
Science, 261, 1993
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1VS0
 | | Crystal Structure of the Ligase Domain from M. tuberculosis LigD at 2.4A | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Putative DNA ligase-like protein Rv0938/MT0965, ... | | Authors: | Akey, D, Martins, A, Aniukwu, J, Glickman, M.S, Shuman, S, Berger, J.M, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2006-01-27 | | Release date: | 2006-02-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure and Nonhomologous End-joining Function of the Ligase Component of Mycobacterium DNA Ligase D.
J.Biol.Chem., 281, 2006
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4ANB
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-16 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4AN2
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-14 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4AN3
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-15 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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