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4LOT
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BU of 4lot by Molmil
C1s CUB2-CCP1-CCP2
Descriptor: Complement C1s subcomponent heavy chain
Authors:Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E.
Deposit date:2013-07-13
Release date:2013-08-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4DNA
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BU of 4dna by Molmil
CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Probable glutathione reductase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-08
Release date:2012-03-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021
To be Published
3G96
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BU of 3g96 by Molmil
Crystal structure of the Bacillus anthracis glmS ribozyme bound to MaN6P
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, GLMS RIBOZYME, MAGNESIUM ION, ...
Authors:Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D.
Deposit date:2009-02-12
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
4DPG
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BU of 4dpg by Molmil
Crystal Structure of Human LysRS: P38/AIMP2 Complex I
Descriptor: ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Fang, P, Wang, J, Bennett, S.P, Guo, M.
Deposit date:2012-02-13
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.844 Å)
Cite:Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription.
Mol.Cell, 49, 2013
4DSA
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BU of 4dsa by Molmil
Crystal Structure of DPP-IV with Compound C1
Descriptor: 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide, Dipeptidyl peptidase 4
Authors:Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K.
Deposit date:2012-02-18
Release date:2013-02-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structure of DPP-IV with Compound C1
To be Published
4DUB
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BU of 4dub by Molmil
cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 9D7
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DUZ
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BU of 4duz by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U13C, bound with streptomycin
Descriptor: 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ...
Authors:Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
Deposit date:2012-02-22
Release date:2013-02-27
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (3.651 Å)
Cite:A structural basis for streptomycin resistance
To be Published
4LV8
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BU of 4lv8 by Molmil
Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Reese, M.L, Boothroyd, J.C.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI
To be Published
4DX3
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BU of 4dx3 by Molmil
Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue
Descriptor: CHLORIDE ION, GLYCEROL, Mandelate racemase / muconate lactonizing enzyme family protein
Authors:Vetting, M.W, Bouvier, J.T, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-02-27
Release date:2012-04-18
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue
to be published
4DY4
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BU of 4dy4 by Molmil
High resolution structure of E.coli WrbA with FMN
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA
Authors:Kishko, I, Brynda, J, Kuta Smatanova, I, Ettrich, R, Carey, J.
Deposit date:2012-02-28
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High resolution structure of E.coli WrbA with FMN
To be Published
4LW5
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BU of 4lw5 by Molmil
Crystal structure of all-trans green fluorescent protein
Descriptor: Green fluorescent protein
Authors:Rosenman, D.J, Huang, Y.-M, Xia, K, Vanroey, P, Colon, W, Bystroff, C.
Deposit date:2013-07-26
Release date:2014-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Green-lighting green fluorescent protein: Faster and more efficient folding by eliminating a cis-trans peptide isomerization event.
Protein Sci., 23, 2014
4DU9
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BU of 4du9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2012-02-21
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pressure effects in proteins
To be Published
4DUF
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BU of 4duf by Molmil
cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4LV6
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BU of 4lv6 by Molmil
Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C
Descriptor: 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-26
Release date:2013-11-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4DYS
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BU of 4dys by Molmil
Crystal Structure of Apo Swine Flu Influenza Nucleoprotein
Descriptor: Nucleocapsid protein
Authors:Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R.
Deposit date:2012-02-29
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:To be determined
To be Published
4DV9
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BU of 4dv9 by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION
Authors:Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
Deposit date:2012-02-23
Release date:2013-01-16
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.076 Å)
Cite:Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4LYJ
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BU of 4lyj by Molmil
Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-31
Release date:2013-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LW8
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BU of 4lw8 by Molmil
Crystal structure of a putative epimerase from Burkholderia cenocepacia J2315
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative epimerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-07-26
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a putative epimerase from Burkholderia cenocepacia J2315
TO BE PUBLISHED
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DVC
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BU of 4dvc by Molmil
Structural and functional studies of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera toxin production
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Thiol:disulfide interchange protein DsbA
Authors:Walden, P.M, Martin, J.L.
Deposit date:2012-02-23
Release date:2012-10-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The 1.2 A resolution crystal structure of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera-toxin production
Acta Crystallogr.,Sect.D, 68, 2012
3G81
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BU of 3g81 by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with alpha methyl mannoside
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, methyl alpha-D-mannopyranoside
Authors:Head, J.F.
Deposit date:2009-02-11
Release date:2009-03-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
4E0W
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BU of 4e0w by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2012-03-05
Release date:2012-05-02
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3501 Å)
Cite:Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
4E18
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BU of 4e18 by Molmil
Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin
Descriptor: Catenin alpha-1, Vinculin
Authors:Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I.
Deposit date:2012-03-05
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
4LZG
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BU of 4lzg by Molmil
Binary complex of human DNA Polymerase Mu with DNA
Descriptor: CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, GLYCEROL, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2013-07-31
Release date:2014-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4DAB
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BU of 4dab by Molmil
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with hypoxanthine
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T.
Deposit date:2012-01-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012

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