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PDB: 45910 results

5CQZ
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BU of 5cqz by Molmil
Human cytosolic 5'-nucleotidase II in complex with 3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide
Descriptor: 1-(biphenyl-3-yl)-1H-imidazole, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Preeti, P, Aghajari, N.
Deposit date:2015-07-22
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
3MM8
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BU of 3mm8 by Molmil
Dissimilatory sulfite reductase nitrate complex
Descriptor: IRON/SULFUR CLUSTER, NITRATE ION, SIROHEME, ...
Authors:Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
Deposit date:2010-04-19
Release date:2010-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
6TRO
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BU of 6tro by Molmil
Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV
Descriptor: Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
5CSO
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BU of 5cso by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine at 1.78 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
Descriptor: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
5CST
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BU of 5cst by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine diphosphate at 1.78 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
4AC5
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BU of 4ac5 by Molmil
Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R.
Deposit date:2011-12-14
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (8.2 Å)
Cite:Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
1VAM
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BU of 1vam by Molmil
CONCANAVALIN A COMPLEX WITH 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE
Descriptor: 4-nitrophenyl alpha-D-mannopyranoside, CALCIUM ION, CONCANAVALIN A, ...
Authors:Kanellopoulos, P.N, Tucker, P.A, Hamodrakas, S.J.
Deposit date:1996-01-08
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The crystal structure of the complexes of concanavalin A with 4'-nitrophenyl-alpha-D-mannopyranoside and 4'-nitrophenyl-alpha-D-glucopyranoside.
J.Struct.Biol., 116, 1996
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
Descriptor: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
5ZQ7
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BU of 5zq7 by Molmil
SidE-Ubi-NAD
Descriptor: ADENOSINE MONOPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SidE, ...
Authors:Wang, Y, Gao, A, Gao, P.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
5TIJ
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BU of 5tij by Molmil
Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
Descriptor: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2016-10-03
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
1V4J
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Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima V73Y mutant
Descriptor: SULFATE ION, octoprenyl-diphosphate synthase
Authors:Guo, R.T, Kuo, C.J, Chou, C.C, Ko, T.P, Shr, H.L, Liang, P.H, Wang, A.H.-J.
Deposit date:2003-11-14
Release date:2004-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima and Mechanism of Product Chain Length Determination
J.Biol.Chem., 279, 2004
6TSF
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BU of 6tsf by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 60 minutes
Descriptor: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
Authors:Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
Deposit date:2019-12-20
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TRN
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BU of 6trn by Molmil
Crystal structure of HLA A2*01-AVYDGREHTV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ...
Authors:Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S.
Deposit date:2019-12-19
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4.
J.Biol.Chem., 295, 2020
6TSA
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BU of 6tsa by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 30 minutes
Descriptor: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
Authors:Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
Deposit date:2019-12-20
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
Descriptor: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-31
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
2PUM
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BU of 2pum by Molmil
Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
To be Published
8P4G
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BU of 8p4g by Molmil
Crystal structure of a multicopper oxidase 3F3 variant from Pyrobaculum aerophilum
Descriptor: CHLORIDE ION, COPPER (II) ION, Multicopper oxidase
Authors:Borges, P.T, Brissos, V, Frazao, C, Martins, L.O.
Deposit date:2023-05-21
Release date:2024-02-21
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases.
J.Biol.Inorg.Chem., 29, 2024
1VAL
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BU of 1val by Molmil
CONCANAVALIN A COMPLEX WITH 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE
Descriptor: 4-nitrophenyl alpha-D-glucopyranoside, CALCIUM ION, CONCANAVALIN A, ...
Authors:Kanellopoulos, P.N, Tucker, P.A, Hamodrakas, S.J.
Deposit date:1996-01-08
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of the complexes of concanavalin A with 4'-nitrophenyl-alpha-D-mannopyranoside and 4'-nitrophenyl-alpha-D-glucopyranoside.
J.Struct.Biol., 116, 1996
3MLS
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BU of 3mls by Molmil
Crystal structure of anti-HIV-1 V3 mAb 2557 Fab in complex with a HIV-1 gp120 V3 mimotope
Descriptor: Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Rationally designed V3 mimotope
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
5D6T
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BU of 5d6t by Molmil
Crystal Structure of Aspergillus clavatus Sph3 in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, SPHERULIN-4, ...
Authors:Bamford, N.C, Little, D.J, Howell, P.L.
Deposit date:2015-08-12
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Sph3 Is a Glycoside Hydrolase Required for the Biosynthesis of Galactosaminogalactan in Aspergillus fumigatus.
J.Biol.Chem., 290, 2015
4AR2
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BU of 4ar2 by Molmil
Dodecahedron formed of penton base protein from adenovirus Ad3
Descriptor: CALCIUM ION, FIBER PROTEIN, L2 PROTEIN III (PENTON BASE)
Authors:Burmeister, W.P, Szolajska, E, Zochowska, M, Nerlo, B, Andreev, I, Schoehn, G, Andrieu, J.-P, Fender, P, Naskalska, A, Zubieta, C, Cusack, S, Chroboczek, J.
Deposit date:2012-04-20
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Structural Basis for the Integrity of Adenovirus Ad3 Dodecahedron.
Plos One, 7, 2012
6CQD
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BU of 6cqd by Molmil
Crystal structure of HPK1 in complex with ATP analogue (AMPPNP)
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W.
Deposit date:2018-03-14
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
3G5U
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BU of 3g5u by Molmil
Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding
Descriptor: MERCURY (II) ION, Multidrug resistance protein 1a
Authors:Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G.
Deposit date:2009-02-05
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
5W3Q
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BU of 5w3q by Molmil
L28F E.coli DHFR in complex with NADPH
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E, Wilson, I.A.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
J. Am. Chem. Soc., 139, 2017

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