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7THI
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BU of 7thi by Molmil
Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
Authors:Clark, K.L, Kulathila, R, Wright, K, Isome, Y, Sage, D, Yang, Y, Christodoulou, C.
Deposit date:2022-01-11
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
To Be Published
6VHL
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BU of 6vhl by Molmil
Paired Helical Filament from Alzheimer's Disease Human Brain Tissue
Descriptor: GLYCINE, Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-10
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
1W5M
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BU of 1w5m by Molmil
Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C and D139C)
Descriptor: CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, ...
Authors:Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D.
Deposit date:2004-08-09
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
6UZP
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BU of 6uzp by Molmil
HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010
6UZV
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BU of 6uzv by Molmil
The structure of a red shifted photosystem I complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Toporik, H, Williams, D, Chiu, P.L, Mazor, Y.
Deposit date:2019-11-15
Release date:2020-09-16
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of a red-shifted photosystem I reveals a red site in the core antenna.
Nat Commun, 11, 2020
1W2H
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BU of 1w2h by Molmil
Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Azidothymidine Monophosphate (AZT-MP) (2.0 A Resolution)
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ACETATE ION, THYMIDYLATE KINASE TMK
Authors:Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D.
Deposit date:2004-07-06
Release date:2005-01-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of Mycobacterium tuberculosis thymidylate kinase in complex with 3'-azidodeoxythymidine monophosphate suggests a mechanism for competitive inhibition.
Biochemistry, 44, 2005
1VZG
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BU of 1vzg by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
Descriptor: CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ...
Authors:Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
Deposit date:2004-05-19
Release date:2004-08-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction
Structure, 12, 2004
1WB9
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BU of 1wb9 by Molmil
Crystal Structure of E. coli DNA Mismatch Repair enzyme MutS, E38T mutant, in complex with a G.T mismatch
Descriptor: 5'-D(*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP *GP*GP*CP*AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP *CP*AP*CP*CP*AP*GP*TP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Natrajan, G, Georgijevic, D, Lebbink, J.H.G, Winterwerp, H.H.K, de Wind, N, Sixma, T.K.
Deposit date:2004-10-31
Release date:2006-01-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Role of Muts Glutamate 38 in DNA Mismatch Discrimination and in the Authorization of Repair.
Embo J., 25, 2006
6SUE
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BU of 6sue by Molmil
Structure of Photorhabdus luminescens Tc holotoxin pore, Mutation TccC3-D651A
Descriptor: TcdA1, TcdB2,TccC3
Authors:Roderer, D, Raunser, S.
Deposit date:2019-09-13
Release date:2019-11-06
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of a Tc holotoxin pore provides insights into the translocation mechanism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6V9V
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BU of 6v9v by Molmil
Structure of TRPA1 modified by Bodipy-iodoacetamide with bound calcium, LMNG
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily A member 1, ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
Authors:Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D.
Deposit date:2019-12-16
Release date:2020-05-06
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Irritant-evoked activation and calcium modulation of the TRPA1 receptor.
Nature, 585, 2020
6VB4
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BU of 6vb4 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6V9A
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BU of 6v9a by Molmil
Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72D
Descriptor: CITRIC ACID, GLYCEROL, Glucose-1-phosphate adenylyltransferase
Authors:Zheng, Y, Alghamdi, M.A, Ballicora, M.A, Liu, D.
Deposit date:2019-12-13
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase.
Protein Sci., 31, 2022
1W5N
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BU of 1w5n by Molmil
Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations D131C and D139C)
Descriptor: CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, ...
Authors:Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D.
Deposit date:2004-08-09
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
1VZH
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BU of 1vzh by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
Descriptor: CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ...
Authors:Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
Deposit date:2004-05-19
Release date:2004-08-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
1W1U
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BU of 1w1u by Molmil
Inactive Urocanase-SA cocrystallized with urocanate
Descriptor: (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UROCANATE HYDRATASE
Authors:Kessler, D, Retey, J, Schulz, G.E.
Deposit date:2004-06-24
Release date:2004-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure and Action of Urocanase
J.Mol.Biol., 342, 2004
6UZQ
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BU of 6uzq by Molmil
HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
1W5Q
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BU of 1w5q by Molmil
Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C, D139C, P132E, K229R)
Descriptor: DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, MAGNESIUM ION, ...
Authors:Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D.
Deposit date:2004-08-09
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
1W6N
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BU of 1w6n by Molmil
X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1
Descriptor: BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION
Authors:Lopez-Lucendo, M.I.F, Solis, D, Kaltner, H, Gabius, H.J, Romero, A.
Deposit date:2004-08-19
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
7TZJ
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BU of 7tzj by Molmil
SARS CoV-2 PLpro in complex with inhibitor 3k
Descriptor: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
Authors:Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
7TXZ
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BU of 7txz by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the distal region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-02-10
Release date:2022-03-09
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022
1W8W
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BU of 1w8w by Molmil
CBM29-2 mutant Y46A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
Descriptor: NON-CATALYTIC PROTEIN 1
Authors:Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J.
Deposit date:2004-09-30
Release date:2005-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules
J.Biol.Chem., 280, 2005
7TY0
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BU of 7ty0 by Molmil
Nipah Virus attachment (G) glycoprotein ectodomain in complex with nAH1.3 neutralizing antibody Fab fragment (local refinement of the stalk region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Wang, Z.Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-02-10
Release date:2022-03-09
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Architecture and antigenicity of the Nipah virus attachment glycoprotein.
Science, 375, 2022

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