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7AZ7
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BU of 7az7 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 37 bound
Descriptor: Beta sliding clamp, FORMIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZ6
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BU of 7az6 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 36 bound
Descriptor: ACETATE ION, Beta sliding clamp, CHLORIDE ION, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZ8
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BU of 7az8 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 43 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZD
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BU of 7azd by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZK
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BU of 7azk by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 35 bound
Descriptor: Beta sliding clamp, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
Deposit date:2011-02-01
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
3CL3
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BU of 3cl3 by Molmil
Crystal Structure of a vFLIP-IKKgamma complex: Insights into viral activation of the IKK signalosome
Descriptor: NF-kappa-B essential modulator, ORF K13
Authors:Bagneris, C, Ageichik, A.V, Cronin, N, Boshoff, C, Waksman, G, Barrett, T.
Deposit date:2008-03-18
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a vFlip-IKKgamma complex: insights into viral activation of the IKK signalosome.
Mol.Cell, 30, 2008
3M1J
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BU of 3m1j by Molmil
The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
Authors:Temperini, C, Messori, L.
Deposit date:2010-03-05
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins
Chemmedchem, 5, 2010
2BMC
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BU of 2bmc by Molmil
Aurora-2 T287D T288D complexed with PHA-680632
Descriptor: (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6
Authors:Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P.
Deposit date:2005-03-11
Release date:2005-03-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
5ZC3
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BU of 5zc3 by Molmil
The Crystal Structure of PcRxLR12
Descriptor: RxLR effector
Authors:Zhao, L, Zhang, X, Zhu, C.
Deposit date:2018-02-14
Release date:2018-08-15
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Crystal structure of the RxLR effector PcRxLR12 from Phytophthora capsici
Biochem. Biophys. Res. Commun., 503, 2018
3D21
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BU of 3d21 by Molmil
Crystal structure of a poplar wild-type thioredoxin h, PtTrxh4
Descriptor: Thioredoxin H-type
Authors:Koh, C.S, Didierjean, C, Corbier, C, Rouhier, N, Jacquot, J.P, Gelhaye, E.
Deposit date:2008-05-07
Release date:2008-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Atypical Catalytic Mechanism Involving Three Cysteines of Thioredoxin.
J.Biol.Chem., 283, 2008
3MR6
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BU of 3mr6 by Molmil
Human DNA polymerase eta - DNA ternary complex with a CPD 2bp upstream of the active site (TT4)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*C*AP*TP*CP*AP*(TTD)P*AP*CP*GP*AP*GP*C)-3'), DNA (5'-D(*TP*CP*TP*CP*GP*TP*AP*AP*T)-3'), ...
Authors:Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W.
Deposit date:2010-04-28
Release date:2010-06-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
1ITM
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BU of 1itm by Molmil
ANALYSIS OF THE SOLUTION STRUCTURE OF HUMAN INTERLEUKIN 4 DETERMINED BY HETERONUCLEAR THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE TECHNIQUES
Descriptor: INTERLEUKIN-4
Authors:Redfield, C, Smith, L.J, Boyd, J, Lawrence, G.M.P, Edwards, R.G, Gershater, C.J, Smith, R.A.G, Dobson, C.M.
Deposit date:1994-02-28
Release date:1994-05-31
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Analysis of the solution structure of human interleukin-4 determined by heteronuclear three-dimensional nuclear magnetic resonance techniques.
J.Mol.Biol., 238, 1994
1IRA
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BU of 1ira by Molmil
COMPLEX OF THE INTERLEUKIN-1 RECEPTOR WITH THE INTERLEUKIN-1 RECEPTOR ANTAGONIST (IL1RA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-1 RECEPTOR, INTERLEUKIN-1 RECEPTOR ANTAGONIST
Authors:Schreuder, H.A, Tardif, C, Tramp-Kalmeyer, S, Soffientini, A, Sarubbi, E, Akeson, A, Bowlin, T, Yanofsky, S, Barrett, R.W.
Deposit date:1998-04-09
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A new cytokine-receptor binding mode revealed by the crystal structure of the IL-1 receptor with an antagonist.
Nature, 386, 1997
8GXP
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BU of 8gxp by Molmil
Complex structure of RORgama with betulinic acid
Descriptor: Betulinic acid, Nuclear receptor ROR-gamma
Authors:Zhang, X.L, Xu, C, Bai, F.
Deposit date:2022-09-20
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
2BWR
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BU of 2bwr by Molmil
Crystal Structure of Psathyrella Velutina Lectin at 1.5A Resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Cioci, G, Mitchell, E.P, Chazalet, V, Gautier, C, Oscarson, S, Debray, H, Perez, S, Imberty, A.
Deposit date:2005-07-18
Release date:2006-01-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium.
J.Mol.Biol., 357, 2006
5ZWV
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BU of 5zwv by Molmil
Structural Basis for the Enantioselectivity of Est-Y29 toward (S)-ketoprofen
Descriptor: Est-Y29
Authors:Ngo, D.T, Oh, C, Park, K, Nguyen, L, Byun, H.M, Kim, S, Yoon, S, Ryu, Y, Ryu, B.H, Kim, T.D, Yang, J.W.
Deposit date:2018-05-17
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Basis for the Enantioselectivity of Esterase Est-Y29 toward (S)-Ketoprofen
Acs Catalysis, 9, 2019
3MR2
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BU of 3mr2 by Molmil
Human DNA polymerase eta in complex with normal DNA and incoming nucleotide (Nrm)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W.
Deposit date:2010-04-28
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
3DOB
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BU of 3dob by Molmil
Peptide-binding domain of Heat shock 70 kDa protein F44E5.5 from C.elegans.
Descriptor: BETA-MERCAPTOETHANOL, Heat shock 70 kDa protein F44E5.5
Authors:Osipiuk, J, Hatzos, C, Gu, M, Zhang, R, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-03
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:X-ray crystal structure of Peptide-binding domain of Heat shock 70 kDa protein F44E5.5 from C.elegans.
To be Published
5ZVV
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BU of 5zvv by Molmil
Structure of SeMet-phAimR
Descriptor: AimR transcriptional regulator, GLYCEROL
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
Descriptor: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-10-27
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
3D9H
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BU of 3d9h by Molmil
Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein
Descriptor: cDNA FLJ77766, highly similar to Homo sapiens ankyrin repeat and SOCS box-containing 9 (ASB9), transcript variant 2, ...
Authors:Fei, X, Gu, X, Fan, S, Zhang, C, Ji, C.
Deposit date:2008-05-27
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein
To be published
6A6B
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BU of 6a6b by Molmil
cryo-em structure of alpha-synuclein fiber
Descriptor: Alpha-synuclein
Authors:Li, Y.W, Zhao, C.Y, Luo, F, Liu, Z, Gui, X, Luo, Z, Zhang, X, Li, D, Liu, C, Li, X.
Deposit date:2018-06-27
Release date:2018-07-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Amyloid fibril structure of alpha-synuclein determined by cryo-electron microscopy
Cell Res., 28, 2018
5ZW6
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BU of 5zw6 by Molmil
Structure of spAimR
Descriptor: AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
4B4Y
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BU of 4b4y by Molmil
crystal structure of the neuroglobin from the photosymbiotic marine acoel Symsagittifera roscoffensis
Descriptor: NEUROGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lechauve, C, Jager, M, Laguerre, L, Kiger, L, Correc, G, Leroux, C, Vinogradov, S, Czjzek, M, Marden, M.C, Bailly, X.
Deposit date:2012-08-01
Release date:2013-01-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Neuroglobins: Pivotal Proteins Associated with Emerging Neural Systems and Precursors of Metazoan Globin Diversity.
J.Biol.Chem., 288, 2013

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