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5FA2
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BU of 5fa2 by Molmil
Crystal structure of 426c.TM4deltaV1-3 p120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-12-10
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5F9W
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BU of 5f9w by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
Authors:Chen, L, Zhou, T, Kwong, P.D.
Deposit date:2015-12-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8911 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
2RF5
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BU of 2rf5 by Molmil
Crystal structure of human tankyrase 1- catalytic PARP domain
Descriptor: GLYCEROL, Tankyrase-1, ZINC ION
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2007-09-28
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Zinc binding catalytic domain of human tankyrase 1.
J.Mol.Biol., 379, 2008
1MAK
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BU of 1mak by Molmil
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor: IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L, Friedrichs, M.S, Metzler, W.J, Wittekind, M, Hensley, P, Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
4MPS
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BU of 4mps by Molmil
Crystal structure of rat Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6GAL1), Northeast Structural Genomics Consortium Target RnR367A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactoside alpha-2,6-sialyltransferase 1
Authors:Forouhar, F, Meng, L, Milaninia, S, Seetharaman, J, Su, M, Kornhaber, G, Montelione, G.T, Hunt, J.F, Moremen, K.W, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-13
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic Basis for N-Glycan Sialylation: STRUCTURE OF RAT alpha 2,6-SIALYLTRANSFERASE (ST6GAL1) REVEALS CONSERVED AND UNIQUE FEATURES FOR GLYCAN SIALYLATION.
J.Biol.Chem., 288, 2013
1MVG
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BU of 1mvg by Molmil
NMR solution structure of chicken Liver basic Fatty Acid Binding Protein (Lb-FABP)
Descriptor: Liver basic Fatty Acid Binding Protein
Authors:Vasile, F, Ragona, L, Catalano, M, Zetta, L, Perduca, M, Monaco, H, Molinari, H.
Deposit date:2002-09-25
Release date:2003-03-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of chicken Liver basic type Fatty Acid Binding Protein
J.BIOMOL.NMR, 25, 2003
1N3Q
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BU of 1n3q by Molmil
Pterocarpus angolensis lectin complexed with turanose
Descriptor: CALCIUM ION, MANGANESE (II) ION, alpha-D-glucopyranose-(1-3)-beta-D-fructofuranose, ...
Authors:Loris, R, Imberty, A, Beeckmans, S, Van Driessche, E, Read, J.S, Bouckaert, J, De Greve, H, Buts, L, Wyns, L.
Deposit date:2002-10-29
Release date:2002-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Pterocarpus angolensis lectin in complex with glucose, sucrose, and turanose
J.BIOL.CHEM., 278, 2003
1MVZ
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BU of 1mvz by Molmil
NMR solution structure of a Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata)
Descriptor: Bowman-Birk type protease inhibitor, (MSTI)
Authors:Catalano, M, Ragona, L, Molinari, H, Tava, A, Zetta, L.
Deposit date:2002-09-27
Release date:2003-04-22
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Anticarcinogenic Bowman Birk inhibitor isolated from snail medic seeds (Medicago Scutellata): solution structure and analysis of self-association behaviour
Biochemistry, 42, 2003
1N3O
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BU of 1n3o by Molmil
Pterocarcpus angolensis lectin in complex with alpha-methyl glucose
Descriptor: CALCIUM ION, MANGANESE (II) ION, lectin PAL, ...
Authors:Loris, R, Imberty, A, Beeckmans, S, Van Driessche, E, Read, J.S, Bouckaert, J, De Greve, H, Buts, L, Wyns, L.
Deposit date:2002-10-29
Release date:2002-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Pterocarpus angolensis lectin in complex with glucose, sucrose, and turanose
J.BIOL.CHEM., 278, 2003
1N3P
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BU of 1n3p by Molmil
Pterocarpus angolensis lectin in complex with sucrose
Descriptor: CALCIUM ION, MANGANESE (II) ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
Authors:Loris, R, Imberty, A, Beeckmans, S, Van Driessche, E, Read, J.S, Bouckaert, J, De Greve, H, Buts, L, Wyns, L.
Deposit date:2002-10-29
Release date:2002-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Pterocarpus angolensis lectin in complex with glucose, sucrose, and turanose
J.BIOL.CHEM., 278, 2003
1W9A
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BU of 1w9a by Molmil
Crystal structure of Rv1155 from Mycobacterium tuberculosis
Descriptor: PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE
Authors:Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y.
Deposit date:2004-10-07
Release date:2005-01-06
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis
FEBS Lett., 579, 2005
1W07
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BU of 1w07 by Molmil
Arabidopsis thaliana acyl-CoA oxidase 1
Descriptor: ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ...
Authors:Henriksen, A, Pedersen, L.
Deposit date:2004-06-01
Release date:2004-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism
J.Mol.Biol., 345, 2005
3TTJ
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BU of 3ttj by Molmil
Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury
Descriptor: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10
Authors:Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y.
Deposit date:2011-09-14
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
1VSC
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BU of 1vsc by Molmil
VCAM-1
Descriptor: VASCULAR CELL ADHESION MOLECULE-1
Authors:Wang, J, Stehle, T, Osborn, L.
Deposit date:1995-04-27
Release date:1996-06-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of an N-terminal two-domain fragment of vascular cell adhesion molecule 1 (VCAM-1): a cyclic peptide based on the domain 1 C-D loop can inhibit VCAM-1-alpha 4 integrin interaction.
Proc.Natl.Acad.Sci.USA, 92, 1995
6XEY
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BU of 6xey by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4
Descriptor: 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rapp, M, Shapiro, L, Ho, D.D.
Deposit date:2020-06-14
Release date:2020-07-22
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
1WQ1
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BU of 1wq1 by Molmil
RAS-RASGAP COMPLEX
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ...
Authors:Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A.
Deposit date:1997-07-03
Release date:1998-07-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
4ETE
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BU of 4ete by Molmil
Lysozyme, room-temperature, rotating anode, 0.0021 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
2QK7
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BU of 2qk7 by Molmil
A covalent S-F heterodimer of staphylococcal gamma-hemolysin
Descriptor: Gamma-hemolysin component A, Gamma-hemolysin component B
Authors:Roblin, P, Guillet, V, Maveyraud, L, Mourey, L.
Deposit date:2007-07-10
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A covalent S-F heterodimer of leucotoxin reveals molecular plasticity of beta-barrel pore-forming toxins.
Proteins, 71, 2008
5JHH
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BU of 5jhh by Molmil
Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11
Descriptor: 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ...
Authors:Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F.
Deposit date:2016-04-21
Release date:2017-04-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF
To Be Published
5J1V
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BU of 5j1v by Molmil
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
Descriptor: Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-03-29
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
5JDI
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BU of 5jdi by Molmil
Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)
Descriptor: 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
4V9R
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BU of 4v9r by Molmil
Crystal structure of antibiotic DITYROMYCIN bound to 70S ribosome
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Bulkley, D.P, Brandi, L, Polikanov, Y.S, Fabbretti, A, O'Connor, M, Gualerzi, C.O, Steitz, T.A.
Deposit date:2013-12-05
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The antibiotics dityromycin and GE82832 bind protein S12 and block EF-G-catalyzed translocation.
Cell Rep, 6, 2014
4V89
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BU of 4v89 by Molmil
Crystal Structure of Release Factor RF3 Trapped in the GTP State on a Rotated Conformation of the Ribosome (without viomycin)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zhou, J, Lancaster, L, Trakhanov, S, Noller, H.F.
Deposit date:2011-11-17
Release date:2014-07-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of release factor RF3 trapped in the GTP state on a rotated conformation of the ribosome.
Rna, 18, 2012
4V4Y
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BU of 4v4y by Molmil
Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
Deposit date:2006-06-27
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
4W29
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BU of 4w29 by Molmil
70S ribosome translocation intermediate containing elongation factor EFG/GDP/fusidic acid, mRNA, and tRNAs trapped in the AP/AP pe/E chimeric hybrid state.
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F.
Deposit date:2014-07-02
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:How the ribosome hands the A-site tRNA to the P site during EF-G-catalyzed translocation.
Science, 345, 2014

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