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3MH3
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BU of 3mh3 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MH2
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BU of 3mh2 by Molmil
Mutagenesis of p38 MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
7ZG3
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BU of 7zg3 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-04-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
To Be Published
3MKW
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BU of 3mkw by Molmil
Structure of sopB(155-272)-18mer complex, I23 form
Descriptor: DNA (5'-D(*CP*TP*GP*GP*GP*AP*CP*CP*AP*TP*GP*GP*TP*CP*CP*CP*AP*G)-3'), Protein sopB, SULFATE ION
Authors:Schumacher, M.A, Piro, K, Xu, W.
Deposit date:2010-04-15
Release date:2010-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes.
Nucleic Acids Res., 38, 2010
1TOV
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BU of 1tov by Molmil
Structural genomics of Caenorhabditis elegans: CAP-GLY domain of F53F4.3
Descriptor: Hypothetical protein F53F4.3 in chromosome V, SULFATE ION
Authors:Li, S, Finley, J, Liu, Z.J, Qiu, S.H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, Delucas, L.J, Richardson, D, Richardson, J, Wang, B.C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-06-15
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of the Cytoskeleton-Associated Protein Glycine-Rich (CAP-Gly) Domain
J.Biol.Chem., 277, 2002
4HL5
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BU of 4hl5 by Molmil
Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
Descriptor: 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
3A8Q
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BU of 3a8q by Molmil
Low-resolution crystal structure of the Tiam2 PHCCEx domain
Descriptor: T-lymphoma invasion and metastasis-inducing protein 2
Authors:Terawaki, S, Kitano, K, Mori, T, Zhai, Y, Higuchi, Y, Itoh, N, Watanabe, T, Kaibuchi, K, Hakoshima, T.
Deposit date:2009-10-07
Release date:2009-11-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The PHCCEx domain of Tiam1/2 is a novel protein- and membrane-binding module
Embo J., 29, 2010
3A2H
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BU of 3a2h by Molmil
Crystal structure of the rat vitamin D receptor ligand binding domain complexed with TEI-9647 and a synthetic peptide containing the NR2 box of DRIP 205
Descriptor: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Mediator of RNA polymerase II transcription subunit 1 peptide, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2009-05-20
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
4HYF
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BU of 4hyf by Molmil
Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific Tankyrase1/2 inhibitor
Descriptor: 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile, NICOTINAMIDE, Tankyrase-2, ...
Authors:Perdreau, H, Ekblad, B, Voronkov, A, Holsworth, D.D, Waaler, J, Drewes, G, Schueler, H, Krauss, S, Morth, J.P.
Deposit date:2012-11-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis and SAR for G007-LK, a Lead Stage 1,2,4-Triazole Based Specific Tankyrase 1/2 Inhibitor.
J.Med.Chem., 56, 2013
3MGY
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BU of 3mgy by Molmil
Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
5M3H
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BU of 5m3h by Molmil
Bat influenza A/H17N10 polymerase bound to four heptad repeats of serine 5 phosphorylated Pol II CTD
Descriptor: PHOSPHATE ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Lukarska, M, Pflug, A, Cusack, S.
Deposit date:2016-10-14
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of an essential interaction between influenza polymerase and Pol II CTD.
Nature, 541, 2017
3MHK
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BU of 3mhk by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol
Descriptor: 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ...
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
4HKN
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BU of 4hkn by Molmil
Complex structure of human tankyrase 2 with luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2012-10-15
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
6UYK
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BU of 6uyk by Molmil
Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form.
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein
Authors:Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N.
Deposit date:2019-11-13
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding.
J.Biol.Chem., 296, 2020
3MH0
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BU of 3mh0 by Molmil
Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
Deposit date:2010-04-07
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
3MNO
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BU of 3mno by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
5MPY
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BU of 5mpy by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF9
Descriptor: CALCIUM ION, Multiple organellar RNA editing factor 9, chloroplastic
Authors:Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
Deposit date:2016-12-19
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017
8A8X
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BU of 8a8x by Molmil
TRIM7 PRYSPRY in complex with a MNV1-NS3 peptide HDDFGLQ
Descriptor: E3 ubiquitin-protein ligase TRIM7, MNV1-NS3 C term peptide
Authors:Luptak, J.
Deposit date:2022-06-24
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
8A5M
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BU of 8a5m by Molmil
TRIM7 PRYSPRY in complex with a MNV1-NS6 peptide LEALEFQ
Descriptor: E3 ubiquitin-protein ligase TRIM7, MNV1-NS6 peptide LEALEFQ, PHOSPHATE ION
Authors:Luptak, J.
Deposit date:2022-06-15
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
8A5L
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BU of 8a5l by Molmil
TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ
Descriptor: 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7
Authors:Luptak, J.
Deposit date:2022-06-15
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
3NOC
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BU of 3noc by Molmil
Designed ankyrin repeat protein (DARPin) binders to AcrB: Plasticity of the Interface
Descriptor: Acriflavine resistance protein B, Designed ankyrin repeat protein
Authors:Monroe, N, Briand, C, Gruetter, M.G.
Deposit date:2010-06-25
Release date:2011-05-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Designed ankyrin repeat protein binders for the crystallization of AcrB: Plasticity of the dominant interface
J.Struct.Biol., 174, 2011
8A8M
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BU of 8a8m by Molmil
Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
Authors:Bowler, M.W, Juyoux, P, Pellegrini, E.
Deposit date:2022-06-23
Release date:2022-07-13
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
5IBJ
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BU of 5ibj by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5MRU
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BU of 5mru by Molmil
TetR(class A) in complex with 5a,6-anhydrotetracycline and magnesium
Descriptor: 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, Tetracycline Repressor, ...
Authors:Hinrichs, W, Palm, G.J.
Deposit date:2016-12-26
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:TetR(class A) in complex with 5a,6-anhydrotetracycline and magnesium
To Be Published
5MS7
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BU of 5ms7 by Molmil
Crystal structure of the legionella pneumophila effector protein RavZ_20-502
Descriptor: BARIUM ION, GLYCEROL, Legionella pneumophila effector protein RavZ
Authors:Pantoom, S, Vetter, I.R, Wu, Y.W.
Deposit date:2016-12-31
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elucidation of the anti-autophagy mechanism of the Legionella effector RavZ using semisynthetic LC3 proteins.
Elife, 6, 2017

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