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4IN5
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BU of 4in5 by Molmil
(M)L214G mutant of the Rhodobacter sphaeroides Reaction Center
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Saer, R.G, Hardjasa, A, Murphy, M.E, Beatty, J.T.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors.
Biochemistry, 52, 2013
3SE3
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BU of 3se3 by Molmil
human IFNa2-IFNAR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha 2b, Interferon alpha/beta receptor 1, ...
Authors:Thomas, C, Garcia, K.C.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.0001 Å)
Cite:Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SK2
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BU of 3sk2 by Molmil
Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087 in complex with griseoluteic acid
Descriptor: 6-formyl-9-methoxyphenazine-1-carboxylic acid, EhpR
Authors:Blankenfeldt, W, Yu, S.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin / mitomycin C resistance in other bacteria.
Bmc Struct.Biol., 11, 2011
4IDK
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BU of 4idk by Molmil
HIV-1 reverse transcriptase with bound fragment at the 428 site
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-12
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFB
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BU of 4ifb by Molmil
Crystal structure of SULT 2A1 LLGG mutant with PAPS
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Bile salt sulfotransferase, PHOSPHATE ION, ...
Authors:Kim, J, Toro, R, Bhosle, R, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C.
Deposit date:2012-12-14
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sulfotransferase Selectivity at the Molecular level
To be Published
3S8B
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BU of 3s8b by Molmil
Structure of Yeast Ribonucleotide Reductase 1 with AMPPNP and CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
4IL6
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BU of 4il6 by Molmil
Structure of Sr-substituted photosystem II
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
Deposit date:2012-12-29
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
4IBL
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BU of 4ibl by Molmil
Rubidium Sites in Blood Coagulation Factor VIIa
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2012-12-08
Release date:2014-04-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
3SCI
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BU of 3sci by Molmil
Crystal structure of spike protein receptor-binding domain from a predicted SARS coronavirus human strain complexed with human receptor ACE2
Descriptor: Angiotensin-converting enzyme 2, CHLORIDE ION, Spike glycoprotein, ...
Authors:Wu, K, Peng, G, Wilken, M, Geraghty, R, Li, F.
Deposit date:2011-06-07
Release date:2012-02-08
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanisms of host receptor adaptation by severe acute respiratory syndrome coronavirus.
J.Biol.Chem., 287, 2012
3S66
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BU of 3s66 by Molmil
Structures and oxygen affinities of crystalline human hemoglobin C (beta6 Lys) in the R quaternary structures
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Sugiyama, K, Park, S.Y.
Deposit date:2011-05-25
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structures and oxygen affinities of crystalline human hemoglobin C (beta6 Glu->Lys) in the R and R2 quaternary structure
To be Published
3SCO
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BU of 3sco by Molmil
Crystal Structure of Rice BGlu1 E386G Mutant Complexed with alpha-Glucosyl Fluoride
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ...
Authors:Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
Deposit date:2011-06-08
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
3SCV
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BU of 3scv by Molmil
Crystal Structure of Rice BGlu1 E386G/S334A Mutant Complexed with Cellotetraose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ...
Authors:Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
Deposit date:2011-06-08
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
3RE6
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BU of 3re6 by Molmil
Crystal structure of R4-6 streptavidin
Descriptor: GLYCEROL, Streptavidin
Authors:Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C.
Deposit date:2011-04-02
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Protein Sci., 20, 2011
4IJM
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BU of 4ijm by Molmil
Crystal structure of circadian clock protein KaiC A422V mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ...
Authors:Egli, M, Pattanayek, R.
Deposit date:2012-12-21
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock.
Biochemistry, 52, 2013
3RGN
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BU of 3rgn by Molmil
Crystal structure of spin-labeled BtuB W371R1
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ...
Authors:Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S.
Deposit date:2011-04-08
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
3RDX
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BU of 3rdx by Molmil
Crystal structure of ligand-free R7-2 streptavidin
Descriptor: GLYCEROL, Streptavidin
Authors:Malashkevich, V.N, Magalhaes, M, Czecster, C.M, Guan, R, Levy, M, Almo, S.C.
Deposit date:2011-04-02
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Protein Sci., 20, 2011
3REA
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BU of 3rea by Molmil
HIV-1 Nef protein in complex with engineered Hck-SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK
Authors:Schulte, A, Blankenfeldt, W, Geyer, M.
Deposit date:2011-04-04
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular design, functional characterization and structural basis of a protein inhibitor against the HIV-1 pathogenicity factor Nef.
PLoS ONE, 6, 2011
4LDS
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BU of 4lds by Molmil
The inward-facing structure of the glucose transporter from Staphylococcus epidermidis
Descriptor: Glucose transporter GlcP
Authors:Choe, J, Aleshin, A, Iancu, C.V.
Deposit date:2013-06-25
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a glucose/H+ symporter and its mechanism of action.
Proc.Natl.Acad.Sci.USA, 110, 2013
3RFM
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BU of 3rfm by Molmil
Thermostabilised adenosine A2A receptor in complex with caffeine
Descriptor: Adenosine receptor A2a, CAFFEINE
Authors:Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H.
Deposit date:2011-04-06
Release date:2011-09-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
3RFU
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BU of 3rfu by Molmil
Crystal structure of a copper-transporting PIB-type ATPase
Descriptor: Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P.
Deposit date:2011-04-07
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a copper-transporting PIB-type ATPase.
Nature, 475, 2011
4LII
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BU of 4lii by Molmil
Crystal structure of an apoptosis-inducing factor, mitochondrion-associated, 1 (AIFM1) from Homo sapiens at 1.88 A resolution
Descriptor: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2013-07-02
Release date:2013-09-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of an apoptosis-inducing factor, mitochondrion-associated, 1 (AIFM1) from Homo sapiens at 1.88 A resolution
To be published
3RM4
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BU of 3rm4 by Molmil
AMCase in complex with Compound 1
Descriptor: 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine, Acidic mammalian chitinase
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
4LBK
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BU of 4lbk by Molmil
Crystal structure of Human galectin-3 CRD K176L mutant in complex with LNnT
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
4LCU
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BU of 4lcu by Molmil
Structure of KcsA with E118A mutation
Descriptor: DIACYL GLYCEROL, Fab heavy chain, Fab light chain, ...
Authors:Nimigean, C.M, Posson, D.J, McCoy, J.M.
Deposit date:2013-06-23
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Molecular interactions involved in proton-dependent gating in KcsA potassium channels.
J.Gen.Physiol., 142, 2013

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