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9BKQ
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BU of 9bkq by Molmil
Structure of penguinpox cGAMP PDE in apo and post reaction states
Descriptor: 9-{3-O-[(S)-thiophosphono]-alpha-L-lyxofuranosyl}-9H-purin-6-amine, GUANINE, Penguinpox cGAMP PDE
Authors:Hobbs, S.J, Nomburg, J, Doudna, J.A, Kranzusch, P.J.
Deposit date:2024-04-29
Release date:2024-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Animal and bacterial viruses share conserved mechanisms of immune evasion.
Cell, 187, 2024
5DIG
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BU of 5dig by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol
Descriptor: (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-01
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
2V40
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BU of 2v40 by Molmil
Human Adenylosuccinate synthetase isozyme 2 in complex with GDP
Descriptor: ADENYLOSUCCINATE SYNTHETASE ISOZYME 2, GUANOSINE-5'-DIPHOSPHATE
Authors:Welin, M, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-06-27
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Adenylosuccinate Synthetase Isozyme 2 in Complex with Gdp
To be Published
9BLN
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BU of 9bln by Molmil
The structure of human Pdcd4 bound to the 40S-eIF4A-eIF3-eIF1 complex
Descriptor: 40S ribosomal protein S14, ACETIC ACID, Eukaryotic initiation factor 4A-I, ...
Authors:Brito Querido, J, Sokabe, M, Diaz-Lopez, I, Gordiyenko, Y, Zuber, P, Yifei, D, Albacete-Albacete, L, Ramakrishnan, V, S Fraser, C.
Deposit date:2024-04-30
Release date:2024-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Human tumor suppressor protein Pdcd4 binds at the mRNA entry channel in the 40S small ribosomal subunit.
Nat Commun, 15, 2024
2IL1
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BU of 2il1 by Molmil
Crystal structure of a predicted human GTPase in complex with GDP
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-10-02
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a predicted human GTPase in complex with GDP
To be Published
2V30
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BU of 2v30 by Molmil
Human orotidine 5'-phosphate decarboxylase domain of uridine monophospate synthetase (UMPS) in complex with its product UMP.
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE
Authors:Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-06-10
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Orotidine 5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
3SDA
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BU of 3sda by Molmil
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-beta-galactosylceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Clarke, A.J, Rossjohn, J.
Deposit date:2011-06-08
Release date:2011-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors
Nat.Immunol., 12, 2011
3SDC
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BU of 3sdc by Molmil
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-globotrihexosylceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Clarke, A.J, Rossjohn, J.
Deposit date:2011-06-09
Release date:2011-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors
Nat.Immunol., 12, 2011
2VDI
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BU of 2vdi by Molmil
Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit C192S mutation
Descriptor: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Garcia-Murria, M.-J, Karkehabadi, S, Marin-Navarro, J, Satagopan, S, Andersson, I, Spreitzer, R.J, Moreno, J.
Deposit date:2007-10-09
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Functional Consequences of the Replacement of Proximal Residues Cys-172 and Cys-192 in the Large Subunit of Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase from Chlamydomonas Reinhardtii
Biochem.J., 411, 2008
5DDD
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BU of 5ddd by Molmil
menin in complex with MI-836
Descriptor: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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:2024-10-16
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
6ZDR
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BU of 6zdr by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H.
Deposit date:2020-06-15
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
2UZ9
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BU of 2uz9 by Molmil
Human guanine deaminase (guaD) in complex with zinc and its product Xanthine.
Descriptor: GUANINE DEAMINASE, XANTHINE, ZINC ION
Authors:Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-04-26
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine
To be Published
2VKT
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BU of 2vkt by Molmil
HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN
Descriptor: CTP SYNTHASE 2
Authors:Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-12-28
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
4WA2
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BU of 4wa2 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals in complex with 3'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TVW
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BU of 1tvw by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
8QS4
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BU of 8qs4 by Molmil
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 22 (1083853)
Descriptor: 14-3-3 protein sigma, C-RAF peptide pS259, CHLORIDE ION, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8QS7
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BU of 8qs7 by Molmil
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 70 (1084352)
Descriptor: 1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone, 14-3-3 protein sigma, C-RAF peptide pS259, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8QSE
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BU of 8qse by Molmil
Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 23 (1083848).
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide, BRAF peptide pS365, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-01-21
Release date:2023-09-13
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8QSH
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BU of 8qsh by Molmil
Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 23 (1083848).
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide, ARAF peptide pS214, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8QSD
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BU of 8qsd by Molmil
Ternary structure of 14-3-3s, BRAF phosphopeptide (pS365) and compound 79 (1124379).
Descriptor: 14-3-3 protein sigma, 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone, BRAF peptide pS365, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8QSB
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BU of 8qsb by Molmil
Ternary structure of 14-3-3s, ARAF phosphopeptide (pS214) and compound 86 (1124384).
Descriptor: 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone, 14-3-3 protein sigma, ARAF peptide pS214, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published
8QS6
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BU of 8qs6 by Molmil
Ternary structure of 14-3-3s, C-RAF phosphopeptide (pS259) and compound 21 (1075354)
Descriptor: 14-3-3 protein sigma, C-RAF peptide pS259, CHLORIDE ION, ...
Authors:Konstantinidou, M, Vickery, H, Pennings, M.A.M, Virta, J, Visser, E.J, Oetelaar, M.C.M, Overmans, M, Neitz, J, Ottmann, C, Brunsveld, L, Arkin, M.R.
Deposit date:2023-10-10
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule stabilization of the 14-3-3sigma/CRAF complex inhibits the MAPK pathway
To Be Published

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