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7NWF
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BU of 7nwf by Molmil
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with hybrid-type glycan (GalGlcNAcMan5GlcNAc) product
Descriptor: Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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
Authors:Trastoy, B, Du, J.J, Garcia-Alija, M, Sundberg, E.J, Guerin, M.E.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:GH18 endo-beta-N-acetylglucosaminidases use distinct mechanisms to process hybrid-type N-linked glycans.
J.Biol.Chem., 297, 2021
5DC4
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BU of 5dc4 by Molmil
CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A
Descriptor: AS25 monobody, GLYCEROL, Tyrosine-protein kinase ABL1
Authors:Wojcik, J.B, Koide, A, Koide, S.
Deposit date:2015-08-23
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface.
J.Biol.Chem., 291, 2016
7OOX
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BU of 7oox by Molmil
Crystal structure of PIM1 in complex with ARC-3126
Descriptor: 1,2-ETHANEDIOL, Inhibitor ARC-3126, PHOSPHATE ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOV
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BU of 7oov by Molmil
Crystal structure of PIM1 in complex with ARC-1411
Descriptor: 1,2-ETHANEDIOL, Inhibitor ARC-1411, SULFATE ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOW
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BU of 7oow by Molmil
Crystal structure of PIM1 in complex with ARC-1415
Descriptor: 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
4QKX
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BU of 4qkx by Molmil
Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody
Descriptor: 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ...
Authors:Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P.
Deposit date:2014-06-10
Release date:2014-07-23
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Covalent agonists for studying G protein-coupled receptor activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
7ZG0
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BU of 7zg0 by Molmil
Murine IL-27 in complex with IL-27Ra and a non-competing Nb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ...
Authors:Skladanowska, K, Bloch, Y, Savvides, S.N.
Deposit date:2022-04-01
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
4NYL
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BU of 4nyl by Molmil
Crystal structure of adalimumab FAB fragment
Descriptor: Adalimumab Heavy Chain, Adalimumab Light Chain
Authors:Fan, L.J, Lv, L.L, Zhang, Q.J, Chen, C.L.
Deposit date:2013-12-10
Release date:2014-12-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of adalimumab FAB fragment
To be Published
5DC0
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BU of 5dc0 by Molmil
CRYSTAL STRUCTURE OF MONOBODY GG3/ABL1 SH2 DOMAIN COMPLEX
Descriptor: Fibronectin, Tyrosine-protein kinase ABL1
Authors:Wojcik, J.B, Grabe, G, Koide, S.
Deposit date:2015-08-22
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface.
J.Biol.Chem., 291, 2016
5DC9
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BU of 5dc9 by Molmil
CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B
Descriptor: AS25 monobody, GLYCEROL, IMIDAZOLE, ...
Authors:Wojcik, J.B, Koide, A, Koide, S.
Deposit date:2015-08-23
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface.
J.Biol.Chem., 291, 2016
4OJF
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BU of 4ojf by Molmil
Humanised 3D6 Fab complexed to amyloid beta 1-8
Descriptor: Amyloid beta A4 protein, Humanised 3D6 Fab Heavy Chain, Humanised 3D6 Fab Light Chain
Authors:Miles, L.A, Crespi, G.A.N, Parker, M.W.
Deposit date:2014-01-21
Release date:2015-01-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-beta
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
4OV5
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BU of 4ov5 by Molmil
Structure of HLA-DR1 with a bound peptide with non-optimal alanine in the P1 pocket
Descriptor: HLA class I histocompatibility antigen, A-2 alpha chain, HLA class II histocompatibility antigen, ...
Authors:Trenh, P, Yin, L, Stern, L.J.
Deposit date:2014-02-20
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Susceptibility to HLA-DM Protein Is Determined by a Dynamic Conformation of Major Histocompatibility Complex Class II Molecule Bound with Peptide.
J.Biol.Chem., 289, 2014
7YD0
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BU of 7yd0 by Molmil
SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
Descriptor: Spike glycoprotein, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:SARS-CoV-2 Omicron 1-RBD up spike trimer complexed with two XG005 Fab
To be Published
7YCY
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BU of 7ycy by Molmil
SARS-CoV-2 Omicron 1-RBD up Spike trimer complexed with three XG005 molecules
Descriptor: Spike glycoprotein, XG005-VH, XG005-VL
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-07-02
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:OS-XG005
To be Published
5D6L
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BU of 5d6l by Molmil
beta2AR-T4L - CIM
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
8AYH
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BU of 8ayh by Molmil
Structure of Complement C5 in Complex with small molecule inhibitor and CVF
Descriptor: 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid, Cobra venom factor, Complement C5 alpha chain, ...
Authors:Srinivas, H.
Deposit date:2022-09-02
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:A small-molecule inhibitor of C5 complement protein.
Nat.Chem.Biol., 15, 2019
8AAA
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BU of 8aaa by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-06-30
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
8AZT
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BU of 8azt by Molmil
Type II amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2022-11-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
8AZS
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BU of 8azs by Molmil
Type I amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2022-11-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
4RAU
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BU of 4rau by Molmil
crystal structure of RTOFab in complex with human PF4
Descriptor: Platelet factor 4, RTOFab heavy chain, RTOFab light chain
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-11
Release date:2016-03-16
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:crystal structure of RTOFab in complex with platelet factor 4
To be Published
5B1R
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BU of 5b1r by Molmil
Crystal structure of mouse CD72a CTLD
Descriptor: ACETATE ION, B-cell differentiation antigen CD72, GLYCEROL
Authors:Shinagawa, K, Numoto, N, Tsubata, T, Ito, N.
Deposit date:2015-12-15
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CD72 negatively regulates B lymphocyte responses to the lupus-related endogenous toll-like receptor 7 ligand Sm/RNP
J.Exp.Med., 213, 2016
8AZU
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BU of 8azu by Molmil
Paired helical tau filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | PHF Tau
Descriptor: Microtubule-associated protein tau
Authors:Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S.
Deposit date:2022-09-06
Release date:2023-05-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains.
Neuron, 111, 2023
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
4QO1
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BU of 4qo1 by Molmil
p53 DNA binding domain in complex with Nb139
Descriptor: Cellular tumor antigen p53, Nb139 Nanobody against the DNA-binding domain of p53, ZINC ION
Authors:De Gieter, S, Bethuyne, J, Gettemans, J, Garcia-Pino, A, Loris, R.
Deposit date:2014-06-19
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:A nanobody modulates the p53 transcriptional program without perturbing its functional architecture.
Nucleic Acids Res., 42, 2014
4PWS
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BU of 4pws by Molmil
Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) at 2.15 A with bound chloride from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, Proline-rich 28 kDa antigen
Authors:Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K.
Deposit date:2014-03-21
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28
J.Biol.Chem., 291, 2016

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