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PDB: 45712 results

7R34
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BU of 7r34 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 900 ps following 400-nm laser irradiation of the dark-state determined by SFX
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M.
Deposit date:2022-02-06
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
7R35
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BU of 7r35 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 300 ns following 400-nm laser irradiation of the dark-state determined by SFX
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
Authors:Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, W.
Deposit date:2022-02-06
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
1K8P
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BU of 1k8p by Molmil
Structure of the Human G-quadruplex reveals a novel topology
Descriptor: 5'-D(*(BRU)P*AP*GP*GP*GP*(BRU)P*TP*AP*GP*GP*GP*T)-3', POTASSIUM ION, SODIUM ION
Authors:Parkinson, G.N, Lee, M.P.H, Neidle, S.
Deposit date:2001-10-25
Release date:2002-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of parallel quadruplexes from human telomeric DNA.
Nature, 417, 2002
3L2V
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BU of 3l2v by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and MK0518 (Raltegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
2WIL
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BU of 2wil by Molmil
AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
Deposit date:2009-05-12
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Activity Analysis of Aging and Reactivation of Human Butyrylcholinesterase Inhibited by Analogues of Tabun
Biochem.J., 421, 2009
2OQ4
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BU of 2oq4 by Molmil
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
Descriptor: 5'-D(*C*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(*G*GP*CP*TP*TP*CP*AP*TP*CP*CP*TP*GP*G)-3', Endonuclease VIII, ...
Authors:Golan, G, Zharkov, D.O, Grollman, A.P, Shoahm, G.
Deposit date:2007-01-31
Release date:2008-02-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Active site plasticity of endonuclease VIII: Conformational changes compensating for different substrates and mutations of critical residues
To be Published
2WR7
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BU of 2wr7 by Molmil
the structure of influenza H2 human singapore hemagglutinin with human receptor
Descriptor: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-08-30
Release date:2009-09-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WJ9
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BU of 2wj9 by Molmil
ArdB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Weikart, N.D, Roberts, G, Johnson, K.A, Oke, M, Cooper, L.P, McMahon, S.A, White, J.H, Liu, H, Carter, L.G, Walkinshaw, M.D, Blakely, G.W, Naismith, J.H, Dryden, D.T.F.
Deposit date:2009-05-25
Release date:2010-08-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
7MGC
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BU of 7mgc by Molmil
Concanavalin A bound to a DNA glycoconjugate, G(Man-T)AC
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Partridge, B.E, Winegar, P.H, Mirkin, C.A.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
7MGL
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BU of 7mgl by Molmil
Structure of human TRPML1 with ML-SI3
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
Authors:Schmiege, P, Li, X.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Atomic insights into ML-SI3 mediated human TRPML1 inhibition.
Structure, 29, 2021
7RGY
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BU of 7rgy by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-15
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.337 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
4X8D
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BU of 4x8d by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
Descriptor: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
8TDX
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BU of 8tdx by Molmil
TRNM-b.01 in complex with HIV Env fusion peptide
Descriptor: Env Fusion Peptide, TRNM-b.01 Fab Heavy Chain, TRNM-b.01 Fab Light Chain
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2023-07-05
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Broad and potent HIV-1 neutralization in fusion peptide-primed SHIV-boosted macaques
To Be Published
3OY5
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BU of 3oy5 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH027 at pH7.4
Descriptor: MH027, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Andreasen, P.A, Huang, M.D.
Deposit date:2010-09-22
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
7RH0
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BU of 7rh0 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-trifluoromethyl-benzoyl)-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
1ZGC
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BU of 1zgc by Molmil
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
Descriptor: (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-04-21
Release date:2005-08-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
4GR2
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BU of 4gr2 by Molmil
Structure of AtRbcX1 from Arabidopsis thaliana.
Descriptor: AtRbcX1
Authors:Golik, P, Grudnik, P, Kolesinski, P, Dubin, G, Szczepaniak, A.
Deposit date:2012-08-24
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana.
Biochim.Biophys.Acta, 1830, 2013
7AQ9
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BU of 7aq9 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583W
Descriptor: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
Deposit date:2020-10-20
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.585 Å)
Cite:Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7RGZ
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BU of 7rgz by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH1
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BU of 7rh1 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH3
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BU of 7rh3 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7AQ2
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BU of 7aq2 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583A
Descriptor: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
Deposit date:2020-10-20
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7RH4
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BU of 7rh4 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
3PA2
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BU of 3pa2 by Molmil
Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type Ley
Descriptor: 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ...
Authors:Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D.
Deposit date:2010-10-18
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability.
J.Virol., 85, 2011
4YZ2
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BU of 4yz2 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, in complex with 2-deoxy-2,3-didehydro-N-acetylneuraminic acid.
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase NanC
Authors:Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A.
Deposit date:2015-03-24
Release date:2015-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015

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