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PDB: 45788 results

4ZQW
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BU of 4zqw by Molmil
CdiI from Escherichia coli EC869 in complex with a macrocyclic peptide
Descriptor: CHLORIDE ION, Immunity protein CdiI-o11, macrocyclic peptide
Authors:Morse, R.P, Goulding, C.W.
Deposit date:2015-05-11
Release date:2015-10-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Diversification of beta-Augmentation Interactions between CDI Toxin/Immunity Proteins.
J.Mol.Biol., 427, 2015
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
4NEB
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BU of 4neb by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 0.5 M MnCl2
Descriptor: CHLORIDE ION, Lysozyme C, MANGANESE (II) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-10-29
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
6D5D
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BU of 6d5d by Molmil
Structure of Caldicellulosiruptor danielii GH48 module of glycoside hydrolase WP_045175321
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, glycoside hydrolase WP_045175321
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
AIChE J., 2019
3FPU
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BU of 3fpu by Molmil
The crystallographic structure of the Complex between Evasin-1 and CCL3
Descriptor: C-C motif chemokine 3, Evasin-1, NICKEL (II) ION
Authors:Shaw, J.P, Dias, J.M.
Deposit date:2009-01-06
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009
6TI4
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BU of 6ti4 by Molmil
SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/D-Serine/Lys230 gem diamine complex
Descriptor: (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I.
Deposit date:2019-11-21
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Y55S Serine Hydroxymethyltransferase variant from Streptococcus thermophilus in complex with gem-diamine intermediate of D-serine
To Be Published
4NEF
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BU of 4nef by Molmil
X-ray structure of human Aquaporin 2
Descriptor: Aquaporin-2, CADMIUM ION, ZINC ION
Authors:Frick, A, Eriksson, U, Mattia, F.D, Oberg, F, Hedfalk, K, Neutze, R, Grip, W.D, Deen, P.M.T, Tornroth-horsefield, S.
Deposit date:2013-10-29
Release date:2014-04-16
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-ray structure of human aquaporin 2 and its implications for nephrogenic diabetes insipidus and trafficking
Proc.Natl.Acad.Sci.USA, 111, 2014
4Z54
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BU of 4z54 by Molmil
High Resolution Human Septin3 GTPase domain with alpha-zero helix in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Neuronal-specific septin-3
Authors:Valadares, N.F, Macedo, J.N, Pereira, H.M, Brandao-Neto, J, Matos, S.O, Leonardo, D.A, Araujo, A.P.U, Garratt, R.C.
Deposit date:2015-04-02
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
2DYX
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BU of 2dyx by Molmil
Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Mir, R, Prem kumar, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the complex of lactoferrin C-lobe with melibiose at 2.0 A resolution
To be Published
4NGZ
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BU of 4ngz by Molmil
Previously de-ionized HEW lysozyme crystallized in 0.5 M YbCl3/30% (v/v) glycerol and collected at 125K
Descriptor: CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-03
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
2DXR
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BU of 2dxr by Molmil
Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and sorbitol at 2.85 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Mir, R, Prem kumar, R, Sinha, M, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P.
Deposit date:2006-08-30
Release date:2006-09-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and sorbitol at 2.85 A resolution
To be Published
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
Descriptor: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
Deposit date:2013-11-05
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4Z9A
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BU of 4z9a by Molmil
Crystal structure of Low Molecular Weight Protein Tyrosine Phosphatase isoform A complexed with phenylmethanesulfonic acid
Descriptor: GLYCEROL, Low molecular weight phosphotyrosine protein phosphatase, SULFATE ION, ...
Authors:Trivella, D.B.B, Fonseca, E.M.B, Scorsato, V, Dias, M.P, Aparicio, R.
Deposit date:2015-04-10
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the apo form and a complex of human LMW-PTP with a phosphonic acid provide new evidence of a secondary site potentially related to the anchorage of natural substrates.
Bioorg.Med.Chem., 23, 2015
6T8N
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BU of 6t8n by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
Descriptor: 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ...
Authors:Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-24
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
6D52
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BU of 6d52 by Molmil
Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn] 1, ZINC ION
Authors:Newhouse IX, P.W, Forest, K.T, Satyshur, K.A.
Deposit date:2018-04-19
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution
to be published
6T8S
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BU of 6t8s by Molmil
Structure of the major Type IV pilin PilA1 from Clostridium difficile
Descriptor: Pilin
Authors:Crawshaw, A.D, Basle, A, Salgado, P.S.
Deposit date:2019-10-24
Release date:2020-03-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A practical overview of molecular replacement: Clostridioides difficile PilA1, a difficult case study.
Acta Crystallogr D Struct Biol, 76, 2020
4ZCU
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BU of 4zcu by Molmil
Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P2 form
Descriptor: CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ...
Authors:Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S.
Deposit date:2015-04-16
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015
4NHO
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BU of 4nho by Molmil
Structure of the spliceosomal DEAD-box protein Prp28
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, MERCURY (II) ION, ...
Authors:Moehlmann, S, Neumann, P, Ficner, R.
Deposit date:2013-11-05
Release date:2014-06-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28.
Acta Crystallogr.,Sect.D, 70, 2014
6TD0
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BU of 6td0 by Molmil
Crystal structure of vaborbactam bound to KPC-2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-11-07
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
4ZGC
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BU of 4zgc by Molmil
Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum
Descriptor: Kelch protein, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2015-04-22
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
4NGO
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BU of 4ngo by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 1.0 M CoCl2
Descriptor: CHLORIDE ION, COBALT (II) ION, Lysozyme C
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-02
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4NGW
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BU of 4ngw by Molmil
Dialyzed HEW lysozyme batch crystallized in 0.5 M YbCl3 and collected at 100 K
Descriptor: CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-03
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4ND7
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BU of 4nd7 by Molmil
Crystal structure of apo 3-nitro-tyrosine tRNA synthetase (5B) in the closed form
Descriptor: BETA-MERCAPTOETHANOL, SODIUM ION, Tyrosine--tRNA ligase
Authors:Cooley, R.B, Driggers, C.M, Karplus, P.A, Mehl, R.A.
Deposit date:2013-10-25
Release date:2014-03-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Improved Second-Generation 3-Nitro-tyrosine tRNA Synthetases.
Biochemistry, 53, 2014
4ZJ1
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BU of 4zj1 by Molmil
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ...
Authors:Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G.
Deposit date:2015-04-28
Release date:2015-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring the potential impact of an expanded genetic code on protein function.
Proc.Natl.Acad.Sci.USA, 112, 2015
3FPR
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BU of 3fpr by Molmil
Crystal Structure of Evasin-1
Descriptor: Evasin-1
Authors:Dias, J.M, Shaw, J.P.
Deposit date:2009-01-06
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009

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