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4R8H
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BU of 4r8h by Molmil
The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein
Descriptor: 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, GLYCEROL, cAMP-activated global transcriptional regulator CRP
Authors:Townsend, P.D, Pohl, E, McLeish, T.C.B, Rodgers, T.L, Glover, L.C, Korhonen, H.J, Wilson, M.R, Hodgson, D.R.W, Cann, M.J.
Deposit date:2014-09-02
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein.
J.Biol.Chem., 290, 2015
6TYW
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BU of 6tyw by Molmil
Structure of Ku80 von Willebrand domain S229A mutant complexed with APLF Ku Binding Motif
Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA-GLU, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69965541 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
1XSL
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BU of 1xsl by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap
Descriptor: 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
6W8U
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BU of 6w8u by Molmil
Cryo-EM of the Pyrobaculum arsenaticum pilus
Descriptor: pilin
Authors:Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-03-21
Release date:2020-07-08
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
6W8X
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BU of 6w8x by Molmil
Cryo-EM of the S. solfataricus pilus
Descriptor: pilin
Authors:Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-03-21
Release date:2020-07-08
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
4QH0
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BU of 4qh0 by Molmil
Crystal structure of NucA from Streptococcus agalactiae with magnesium ion bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-entry nuclease (Competence-specific nuclease), ...
Authors:Moon, A.F, Gaudu, P, Pedersen, L.C.
Deposit date:2014-05-26
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the virulence factor nuclease A from Streptococcus agalactiae.
Acta Crystallogr.,Sect.D, 70, 2014
1XSP
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BU of 1xsp by Molmil
Crystal Structure of human DNA polymerase lambda in complex with nicked DNA and pyrophosphate
Descriptor: 5'-D(*CP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
1XSN
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BU of 1xsn by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
1RV7
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BU of 1rv7 by Molmil
Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity
Descriptor: N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease
Authors:Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C.
Deposit date:2003-12-12
Release date:2004-12-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
1RPI
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BU of 1rpi by Molmil
Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity
Descriptor: alpha-D-glucopyranose, protease
Authors:Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C.
Deposit date:2003-12-03
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
1RQ9
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BU of 1rq9 by Molmil
Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity
Descriptor: [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE, protease
Authors:Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C.
Deposit date:2003-12-04
Release date:2004-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
1UBV
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BU of 1ubv by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBW
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BU of 1ubw by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE, GERANYL DIPHOSPHATE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBX
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BU of 1ubx by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBY
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BU of 1uby by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: DIMETHYLALLYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
6H6J
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BU of 6h6j by Molmil
Carbomonoxy murine neuroglobin Gly-loop mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G.
Deposit date:2018-07-27
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
6HK2
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BU of 6hk2 by Molmil
Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO)
Descriptor: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A.
Deposit date:2018-09-05
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
6I3T
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BU of 6i3t by Molmil
Crystal structure of murine neuroglobin bound to CO at 40 K.
Descriptor: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C.
Deposit date:2018-11-07
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
6I40
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BU of 6i40 by Molmil
Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber
Descriptor: ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ...
Authors:Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B.
Deposit date:2018-11-08
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
6ES8
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BU of 6es8 by Molmil
HIV capsid hexamer with IP6 ligand
Descriptor: Gag protein, INOSITOL HEXAKISPHOSPHATE
Authors:James, L.C.
Deposit date:2017-10-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
6A6O
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BU of 6a6o by Molmil
Crystal structure of acetyl ester-xyloside bifunctional hydrolase from Caldicellulosiruptor lactoaceticus
Descriptor: Esterase/lipase-like protein
Authors:Cao, H, Huang, Y, Sun, L.C, Liu, X, Liu, T.F, Wang, F.Z, Xin, F.J.
Deposit date:2018-06-28
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Dual-Substrate Recognition and Catalytic Mechanisms of a Bifunctional Acetyl Ester-Xyloside Hydrolase from Caldicellulosiruptor lactoaceticus.
Acs Catalysis, 9, 2019
6ERM
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BU of 6erm by Molmil
HIV Hexamer with ligand
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, Gag polyprotein
Authors:James, L.C.
Deposit date:2017-10-18
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV hexamer
To Be Published
6IDW
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BU of 6idw by Molmil
GH6 Orpinomyces sp. Y102 enzyme
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Tsai, L.C, Huang, H.C.
Deposit date:2018-09-11
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose.
Acta Crystallogr D Struct Biol, 75, 2019
3FFC
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BU of 3ffc by Molmil
Crystal Structure of CF34 TCR in complex with HLA-B8/FLR
Descriptor: Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ...
Authors:Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J.
Deposit date:2008-12-03
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The shaping of T cell receptor recognition by self-tolerance.
Immunity, 30, 2009
6H09
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BU of 6h09 by Molmil
HIV capsid hexamer with IP6 ligand
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:James, L.C.
Deposit date:2018-07-06
Release date:2018-08-15
Last modified:2020-10-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018

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