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6N32
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BU of 6n32 by Molmil
Anti-HIV-1 Fab 2G12 re-refinement
Descriptor: Fab 2G12 heavy chain, Fab 2G12 light chain, SULFATE ION
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
6N3O
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BU of 6n3o by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3X
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BU of 6n3x by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
Authors:Strom, A.M, Finzel, B.C.
Deposit date:2018-11-16
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
4N0I
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BU of 4n0i by Molmil
Crystal structure of S. cerevisiae mitochondrial GatFAB in complex with glutamine
Descriptor: GLUTAMINE, Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, ...
Authors:Araiso, Y, Ishitani, R, Nureki, O.
Deposit date:2013-10-02
Release date:2014-04-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases
Nucleic Acids Res., 42, 2014
6N5N
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BU of 6n5n by Molmil
Structure of Human pir-miRNA-208a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Shoffner, G.M, Peng, Z, Guo, F.
Deposit date:2018-11-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
Descriptor: Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-19
Release date:2014-09-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
6N52
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BU of 6n52 by Molmil
Metabotropic Glutamate Receptor 5 Apo Form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N6A
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BU of 6n6a by Molmil
Vibrio cholerae Oligoribonuclease bound to pGG
Descriptor: Oligoribonuclease, RNA (5'-R(P*GP*G)-3'), SODIUM ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2018-11-26
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
6N6G
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BU of 6n6g by Molmil
Vibrio cholerae Oligoribonuclease bound to pCG
Descriptor: Oligoribonuclease, RNA (5'-R(P*CP*G)-3'), SODIUM ION
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2018-11-26
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.018 Å)
Cite:A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation.
Elife, 8, 2019
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Stock, D, Christ, D.
Deposit date:2013-10-04
Release date:2014-10-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
Authors:Fenalti, G.
Deposit date:2018-11-26
Release date:2019-05-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
6N5Q
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BU of 6n5q by Molmil
Structure of Human pir-miRNA-378a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Shoffner, G.M, Peng, Z, Guo, F.
Deposit date:2018-11-22
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.946 Å)
Cite:Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N73
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BU of 6n73 by Molmil
Crystal Structure of ATPase delta1-79 Spa47 R271A
Descriptor: ATP synthase SpaL/MxiB
Authors:Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E.
Deposit date:2018-11-27
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
4N5U
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BU of 4n5u by Molmil
Crystal structure of the 4th FN3 domain of human Protein Tyrosine phosphatase, receptor type F [PSI-NYSGRC-006240]
Descriptor: Receptor-type tyrosine-protein phosphatase F, SULFATE ION
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-10-10
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:Crystal structure of the 4th FN3 domain of human PTP, receptor F [PSI-NYSGRC-006240]
to be published
6N9A
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BU of 6n9a by Molmil
Crystal Structure of Thermotoga maritima threonylcarbamoyladenosine biosynthesis complex TsaB2D2E2 bound to ATP and carboxy-AMP
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Swairjo, M.A, Stec, B.
Deposit date:2018-12-01
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational communication mediates the reset step in t6A biosynthesis.
Nucleic Acids Res., 47, 2019
6N8A
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BU of 6n8a by Molmil
Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli
Descriptor: CHLORIDE ION, transcription regulator AcaB
Authors:Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
Deposit date:2018-11-28
Release date:2020-07-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.4011 Å)
Cite:Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
6N90
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BU of 6n90 by Molmil
YoeB/ParE toxin from Agrobacterium tumefaciens
Descriptor: 6-tungstotellurate(VI), Uncharacterized protein
Authors:Bourne, C.R, Reddem, E.R.
Deposit date:2018-11-30
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Identifying a Molecular Mechanism That Imparts Species-Specific Toxicity to YoeB Toxins.
Front Microbiol, 11, 2020
6N97
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BU of 6n97 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA
Descriptor: (2R)-sulfonatepropionyl-amino(dethia)-CoA, (2S)-sulfonatepropionyl-amino(dethia)-CoA, IMIDAZOLE, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
4N7H
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BU of 4n7h by Molmil
Crystal Structure of the Complex of 3rd WW domain of Human Nedd4 and 1st PPXY Motif of ARRDC3
Descriptor: Arrestin domain-containing protein 3, E3 ubiquitin-protein ligase NEDD4, GUANIDINE
Authors:Qi, S, O'Hayre, M, Gutkind, J.S, Hurley, J.
Deposit date:2013-10-15
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3).
J.Biol.Chem., 289, 2014
4N7N
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BU of 4n7n by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
4N21
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BU of 4n21 by Molmil
Crystal structure of the GP2 Core Domain from the California Academy of Science Virus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GP2 Ectodomain
Authors:Malashkevich, V.N, Koellhoffer, J.F, Dai, Z, Toro, R, Lai, J.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-10-04
Release date:2013-11-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species.
J.Mol.Biol., 426, 2014
4MSW
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BU of 4msw by Molmil
Y78 ester mutant of KcsA in high K+
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, DIACYL GLYCEROL, Monoclonal 11D8 anti-human butyrylcholinesterase (BChE) light chain, ...
Authors:Matulef, K, Valiyaveetil, F.I.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N3D
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BU of 4n3d by Molmil
Crystal structure of the dimeric variant EGFP-K162Q in P61 space group
Descriptor: GLYCEROL, Green fluorescent protein, PHOSPHATE ION, ...
Authors:Pletneva, N.V, Pletnev, V.Z, Pletnev, S.V.
Deposit date:2013-10-07
Release date:2014-08-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Three dimensional structure of the dimeric gene-engineered variant of green fluorescent protein egfp-K162Q in P61 crystal space group
Rus.J.Bioorg.Chem., 40, 2014
4MUD
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BU of 4mud by Molmil
Crystal structure of a ring oxydation complex/ phenylacetic acid degradation-like protein (SSO1313) from Sulfolobus solfataricus P2 at 2.43 A resolution
Descriptor: 1,2-ETHANEDIOL, Ring oxydation complex/ phenylacetic acid degradation related protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-09-21
Release date:2013-10-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of a ring oxydation complex/ phenylacetic acid degradation-like protein (SSO1313) from Sulfolobus solfataricus P2 at 2.43 A resolution
To be published
6NCR
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BU of 6ncr by Molmil
Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan
to be published

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