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5FMU
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BU of 5fmu by Molmil
MmIFT54 CH-domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TRAF3-INTERACTING PROTEIN 1
Authors:Weber, K, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.593 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
3AQP
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BU of 3aqp by Molmil
Crystal structure of SecDF, a translocon-associated membrane protein, from Thermus thrmophilus
Descriptor: Probable SecDF protein-export membrane protein
Authors:Tsukazaki, T, Mori, H, Echizen, Y, Ishitani, R, Fukai, S, Tanaka, T, Perederina, A, Vassylyev, D.G, Kohno, T, Ito, K, Nureki, O.
Deposit date:2010-11-16
Release date:2011-05-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and function of a membrane component SecDF that enhances protein export
Nature, 474, 2011
1Z4L
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BU of 1z4l by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with thymidine 5'-monophosphate
Descriptor: 5'(3')-deoxyribonucleotidase, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
4LHW
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BU of 4lhw by Molmil
Crystal structure of Rab8 in its active GppNHp-bound form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Guo, Z, Hou, X.M, Goody, R.S, Itzen, A.
Deposit date:2013-07-01
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB.
J.Biol.Chem., 288, 2013
1ZAW
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BU of 1zaw by Molmil
Ribosomal Protein L10-L12(NTD) Complex, Space Group P212121, Form A
Descriptor: 50S ribosomal protein L10, 50S ribosomal protein L7/L12
Authors:Diaconu, M, Kothe, U, Schluenzen, F, Fischer, N, Harms, J.M, Tonevitski, A.G, Stark, H, Rodnina, M.V, Wahl, M.C.
Deposit date:2005-04-07
Release date:2005-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Function of the Ribosomal L7/12 Stalk in Factor Binding and GTPase Activation.
Cell(Cambridge,Mass.), 121, 2005
8BLT
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BU of 8blt by Molmil
Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with taurocholate (TCA)
Descriptor: Bile salt hydrolase, TAUROCHOLIC ACID
Authors:Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses.
Structure, 31, 2023
8BLS
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BU of 8bls by Molmil
Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with Glycocholate (GCA)
Descriptor: Bile salt hydrolase, GLYCOCHOLIC ACID
Authors:Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses.
Structure, 31, 2023
6STF
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BU of 6stf by Molmil
Human Rab8a phosphorylated at Ser111 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A
Authors:Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K.
Deposit date:2019-09-10
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
6TPD
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BU of 6tpd by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2
Authors:Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
1YNJ
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BU of 1ynj by Molmil
Taq RNA polymerase-Sorangicin complex
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
Authors:Campbell, E.A, Pavlova, O, Zenkin, N, Leon, F, Irschik, H, Jansen, R, Severinov, K, Darst, S.A.
Deposit date:2005-01-24
Release date:2005-03-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural, functional, and genetic analysis of sorangicin inhibition of bacterial RNA polymerase
Embo J., 24, 2005
2OWC
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BU of 2owc by Molmil
Structure of a covalent intermediate in Thermus thermophilus amylomaltase
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, GLYCEROL, ...
Authors:Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2007-02-16
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
J.Biol.Chem., 282, 2007
1Z4Q
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BU of 1z4q by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with 2',3'-dideoxy-2',3-didehydrothymidine 5'-monophosphate (d4T-MP)
Descriptor: 5'(3')-deoxyribonucleotidase, MAGNESIUM ION, [(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2,5-DIHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
5J4U
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BU of 5j4u by Molmil
Crystal structure of a glutathione S-transferase PtGSTU30 from Populus trichocarpa in complex with GSH
Descriptor: GLUTATHIONE, Glutathione transferase family protein
Authors:Yang, Q, Gu, J, Yang, M, Zeng, Q.
Deposit date:2016-04-01
Release date:2017-04-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
5DU5
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BU of 5du5 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3,4-diarylthiophene dioxide core ligand
Descriptor: 3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione, 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:2015-09-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DVS
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BU of 5dvs by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
Descriptor: 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Wright, N.J, 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:2015-09-21
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1Z4I
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BU of 1z4i by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with deoxyribouridine 5'-monophosphate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5'(3')-deoxyribonucleotidase, GLYCEROL, ...
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
5E0X
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BU of 5e0x by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, 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:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.014 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
5E14
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BU of 5e14 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, 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:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1ZAX
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BU of 1zax by Molmil
Ribosomal Protein L10-L12(NTD) Complex, Space Group P212121, Form B
Descriptor: 50S ribosomal protein L10, 50S ribosomal protein L7/L12
Authors:Diaconu, M, Kothe, U, Schluenzen, F, Fischer, N, Harms, J.M, Tonevitski, A.G, Stark, H, Rodnina, M.V, Wahl, M.C.
Deposit date:2005-04-07
Release date:2005-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Function of the Ribosomal L7/12 Stalk in Factor Binding and GTPase Activation.
Cell(Cambridge,Mass.), 121, 2005
5HL7
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BU of 5hl7 by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lefamulin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2016-01-14
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism.
Sci Rep, 6, 2016
5E8R
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BU of 5e8r by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
Authors:DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-14
Release date:2015-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
5DMF
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BU of 5dmf by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
Descriptor: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol, 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:2015-09-08
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1Z4J
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BU of 1z4j by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with uridine 2'-monophosphate
Descriptor: 5'(3')-deoxyribonucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
Deposit date:2023-03-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023

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