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4LSK
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BU of 4lsk by Molmil
Crystal Structure of tRNA Proline (CGG) Bound to Codon CCG-G on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Maehigashi, T, Dunkle, J.A, Dunham, C.M.
Deposit date:2013-07-22
Release date:2014-08-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.48000622 Å)
Cite:Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CO8
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BU of 4co8 by Molmil
Structure of the DNA binding ETS domain of human ETV4
Descriptor: 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 4
Authors:Newman, J.A, Cooper, C.D.O, Shrestha, L, Burgess-Brown, N, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2014-01-27
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
4LTZ
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BU of 4ltz by Molmil
F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
Deposit date:2013-07-24
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
4LUU
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BU of 4luu by Molmil
V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
Deposit date:2013-07-25
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
4CMQ
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BU of 4cmq by Molmil
Crystal structure of Mn-bound S.pyogenes Cas9
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MANGANESE (II) ION, SULFATE ION
Authors:Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
Deposit date:2014-01-17
Release date:2014-02-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structures of Cas9 Endonucleases Reveal RNA- Mediated Conformational Activation
Science, 343, 2014
4LYH
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BU of 4lyh by Molmil
Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide, ...
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:2024-11-06
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LXC
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BU of 4lxc by Molmil
The antimicrobial peptidase lysostaphin from Staphylococcus simulans
Descriptor: Lysostaphin, SULFATE ION, ZINC ION
Authors:Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M.
Deposit date:2013-07-29
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
4LXW
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BU of 4lxw by Molmil
L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
Deposit date:2013-07-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
4M22
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BU of 4m22 by Molmil
Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C
Descriptor: 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-08-05
Release date:2013-11-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4CL1
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BU of 4cl1 by Molmil
The crystal structure of NS5A domain 1 from genotype 1a reveals new clues to the mechanism of action for dimeric HCV inhibitors
Descriptor: NON-STRUCTURAL PROTEIN 5A, SULFATE ION, ZINC ION
Authors:Lambert, S.M, Langley, D.R, Garnett, J.A, Angell, R, Hedgethorne, K, Meanwell, N.A, Matthews, S.J.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Crystal Structure of Ns5A Domain 1 from Genotype 1A Reveals New Clues to the Mechanism of Action for Dimeric Hcv Inhibitors.
Protein Sci., 23, 2014
4LPK
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BU of 4lpk by Molmil
Crystal Structure of K-Ras WT, GDP-bound
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-16
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LUC
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BU of 4luc by Molmil
Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M1S
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BU of 4m1s by Molmil
Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-08-04
Release date:2013-11-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4CMP
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BU of 4cmp by Molmil
Crystal structure of S. pyogenes Cas9
Descriptor: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION
Authors:Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A.
Deposit date:2014-01-16
Release date:2014-02-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation.
Science, 343, 2014
4M1T
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BU of 4m1t by Molmil
Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-08-04
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4D0Y
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BU of 4d0y by Molmil
Crystal structure of DacB from Streptococcus pneumoniae D39
Descriptor: DACB, PHOSPHATE ION, ZINC ION
Authors:Gutierrez-Fernandez, J, Hermoso, J.A.
Deposit date:2014-04-30
Release date:2014-08-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Pneumococcal L,D-Carboxypeptidase Dacb and Pathophysiological Effects of Disabled Cell Wall Hydrolases Daca and Dacb.
Mol.Microbiol., 93, 2014
8GBL
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BU of 8gbl by Molmil
Structure of Apo Human SIRT5
Descriptor: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2023-02-26
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
8GBN
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BU of 8gbn by Molmil
Structure of Apo Human SIRT5 P114T Mutant
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2023-02-26
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
4MF7
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BU of 4mf7 by Molmil
Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290
Descriptor: glutathione S-transferase enzyme with thioredoxin-like domain
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290
To be Published
4LRW
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BU of 4lrw by Molmil
Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound
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:2013-07-21
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
8GCG
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BU of 8gcg by Molmil
MDM2 bound to inhibitor
Descriptor: E3 ubiquitin-protein ligase Mdm2, macrocyclic peptide inhibitor
Authors:Silvestri, A.P, Muir, E.W, Chakka, S.K, Tripathi, S.M, Rubin, S.M, Pye, C.R, Schwochert, J.A.
Deposit date:2023-03-01
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:DNA-Encoded Macrocyclic Peptide Libraries Enable the Discovery of a Neutral MDM2-p53 Inhibitor.
Acs Med.Chem.Lett., 14, 2023
4CIC
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BU of 4cic by Molmil
T. potens IscR
Descriptor: HEXA-ALANINE PEPTIDE, SODIUM ION, TRANSCRIPTIONAL REGULATOR, ...
Authors:Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2013-12-06
Release date:2014-05-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MF6
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BU of 4mf6 by Molmil
Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit
Descriptor: BENZOIC ACID, GLUTATHIONE, Glutathione S-transferase domain
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit
To be Published
4CVD
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BU of 4cvd by Molmil
Crystal structure of the central repeat of cell wall binding module of Cpl7
Descriptor: LYSOZYME
Authors:Silva-Martin, N, Uson, I, Rodriguez, D.D, Hermoso, J.A.
Deposit date:2014-03-25
Release date:2015-04-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.666 Å)
Cite:Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan.
Sci Rep, 7, 2017
4CVO
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BU of 4cvo by Molmil
Crystal structure of the N-terminal colied-coil domain of human DNA excision repair protein ERCC-6
Descriptor: DNA EXCISION REPAIR PROTEIN ERCC-6, MAGNESIUM ION
Authors:Newman, J.A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-03-28
Release date:2014-04-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the N-Terminal Colied-Coil Domain of Human DNA Excision Repair Protein Ercc-6
To be Published

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