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5MN7
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BU of 5mn7 by Molmil
S. aureus FtsZ 12-316 F138A GTP Closed form (3FCm)
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2016-12-12
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments.
MBio, 8, 2017
6RAM
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BU of 6ram by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
2IC1
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BU of 2ic1 by Molmil
Crystal Structure of Human Cysteine Dioxygenase in Complex with Substrate Cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
Authors:Ye, S, Wu, X, Wei, L, Tang, D, Sun, P, Rao, Z.
Deposit date:2006-09-12
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An Insight into the Mechanism of Human Cysteine Dioxygenase: KEY ROLES OF THE THIOETHER-BONDED TYROSINE-CYSTEINE COFACTOR.
J.Biol.Chem., 282, 2007
1NOU
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BU of 1nou by Molmil
Native human lysosomal beta-hexosaminidase isoform B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G.
Deposit date:2003-01-16
Release date:2003-04-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
2I35
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BU of 2i35 by Molmil
Crystal structure of rhombohedral crystal form of ground-state rhodopsin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ...
Authors:Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
Deposit date:2006-08-17
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2I1P
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BU of 2i1p by Molmil
Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 2
Authors:Wolf, C.A, Dancea, F, Shi, M, Bade-Noskova, V, Rueterjans, H, Kerjaschki, D, Luecke, C.
Deposit date:2006-08-14
Release date:2007-02-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin.
J.Biomol.Nmr, 37, 2007
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
Descriptor: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
1NQ3
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BU of 1nq3 by Molmil
Crystal structure of the mammalian tumor associated antigen UK114
Descriptor: 14.3 kDa perchloric acid soluble protein
Authors:Deriu, D, Briand, C, Mistiniene, E, Naktinis, V, Grutter, M.G.
Deposit date:2003-01-21
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and oligomeric state of the mammalian tumour-associated antigen UK114.
Acta Crystallogr.,Sect.D, 59, 2003
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
Descriptor: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQM
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BU of 5mqm by Molmil
Glycoside hydrolase BT_0986
Descriptor: CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
6R74
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BU of 6r74 by Molmil
N-terminally reversed variant of FimA E. coli
Descriptor: SULFATE ION, Type-1 fimbrial protein, A chain
Authors:Zyla, D, Echeverria, B, Glockshuber, R.
Deposit date:2019-03-28
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Donor strand sequence, rather than donor strand orientation, determines the stability and non-equilibrium folding of the type 1 pilus subunit FimA.
J.Biol.Chem., 295, 2020
5MXN
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BU of 5mxn by Molmil
Atomic model of the VipA/VipB/Hcp, the type six secretion system non-contractile sheath-tube of Vibrio cholerae from cryo-EM
Descriptor: Haemolysin co-regulated protein, Type VI secretion protein
Authors:Wang, J, Brackmann, M, Castano-Diez, D, Kudryashev, M, Goldie, K, Maier, T, Stahlberg, H, Basler, M.
Deposit date:2017-01-23
Release date:2017-08-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of the extended type VI secretion system sheath-tube complex.
Nat Microbiol, 2, 2017
2I68
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BU of 2i68 by Molmil
Cryo-EM based theoretical model structure of transmembrane domain of the multidrug-resistance antiporter from E. coli EmrE
Descriptor: Protein emrE
Authors:Fleishman, S.J, Harrington, S.E, Enosh, A, Halperin, D, Tate, C.G, Ben-Tal, N.
Deposit date:2006-08-28
Release date:2006-10-03
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (7.5 Å)
Cite:Quasi-symmetry in the Cryo-EM Structure of EmrE Provides the Key to Modeling its Transmembrane Domain
J.Mol.Biol., 364, 2006
6R32
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BU of 6r32 by Molmil
Aspergillus niger ferrulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3J
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BU of 6r3j by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and crotonic acid following decarboxylation (Int3)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
5MG7
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BU of 5mg7 by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-p53R2)
Descriptor: Cellular tumor antigen p53, DNA, ZINC ION
Authors:Rozenberg, H, Braeuning, B, Golovenko, D, Shakked, Z.
Deposit date:2016-11-21
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MGF
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BU of 5mgf by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-propionyl-pyrrole derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGI
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BU of 5mgi by Molmil
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Descriptor: (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L.
Deposit date:2016-11-21
Release date:2018-03-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Chemmedchem, 13, 2018
5MUT
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BU of 5mut by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
Descriptor: 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R.
Deposit date:2017-01-14
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5MMJ
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BU of 5mmj by Molmil
Structure of the small subunit of the chloroplast ribosome
Descriptor: 16S ribosomal RNA, 30S ribosomal protein 2, chloroplastic, ...
Authors:Bieri, P, Leibundgut, M, Saurer, M, Boehringer, D, Ban, N.
Deposit date:2016-12-10
Release date:2017-01-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The complete structure of the chloroplast 70S ribosome in complex with translation factor pY.
EMBO J., 36, 2017
1OCW
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BU of 1ocw by Molmil
Free conformation Ab2 of the IgE SPE-7
Descriptor: IMMUNOGLOBULIN E
Authors:James, L.C, Roversi, P, Tawfik, D.
Deposit date:2003-02-11
Release date:2004-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibody Multispecificity Mediated by Conformational Diversity
Science, 299, 2003
5MUY
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BU of 5muy by Molmil
Structure of a C-terminal domain of a reptarenavirus L protein with m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, L protein
Authors:Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
Deposit date:2017-01-14
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
6R3F
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BU of 6r3f by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid (Int2)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To Be Published
2HYY
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BU of 2hyy by Molmil
Human Abl kinase domain in complex with imatinib (STI571, Glivec)
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZK
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BU of 2hzk by Molmil
Crystal structures of a sodium-alpha-keto acid binding subunit from a TRAP transporter in its open form
Descriptor: GLYCEROL, TRAP-T family sorbitol/mannitol transporter, periplasmic binding protein, ...
Authors:Gonin, S, Arnoux, P, Pierru, B, Alonso, B, Sabaty, M, Pignol, D.
Deposit date:2006-08-09
Release date:2007-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of an Extracytoplasmic Solute Receptor from a TRAP transporter in its open and closed forms reveal a helix-swapped dimer requiring a cation for alpha-keto acid binding.
Bmc Struct.Biol., 7, 2007

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