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1ECQ
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BU of 1ecq by Molmil
E. COLI GLUCARATE DEHYDRATASE BOUND TO 4-DEOXYGLUCARATE
Descriptor: 4-DEOXYGLUCARATE, GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, ...
Authors:Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I.
Deposit date:2000-01-25
Release date:2000-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli.
Biochemistry, 39, 2000
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
Descriptor: ACETATE ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
5Z31
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BU of 5z31 by Molmil
LPS bound solution structure of WS2-KG18
Descriptor: LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
5Z32
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BU of 5z32 by Molmil
LPS bound solution NMR structure of WS2-VR18
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG
Authors:Bhunia, A, Mohid, S.A.
Deposit date:2018-01-05
Release date:2019-02-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019
7ZJP
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BU of 7zjp by Molmil
Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
Descriptor: 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1
Authors:Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D.
Deposit date:2022-04-11
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
3EYT
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BU of 3eyt by Molmil
Crystal structure of Thioredoxin-like superfamily protein SPOA0173
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, uncharacterized protein SPOA0173
Authors:Chang, C, Marshall, N, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-21
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Thioredoxin-like superfamily protein SPOA0173
To be Published
8TBF
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BU of 8tbf by Molmil
Tricomplex of RMC-7977, KRAS WT, and CypA
Descriptor: (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
Deposit date:2023-06-28
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
4QIQ
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BU of 4qiq by Molmil
Crystal structure of D-xylose-proton symporter
Descriptor: D-xylose-proton symporter, ZINC ION
Authors:Wisedchaisri, G, Park, M, Iadanza, M.G, Zheng, H, Gonen, T.
Deposit date:2014-06-01
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE.
Nat Commun, 5, 2014
5FCY
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BU of 5fcy by Molmil
Structure of Anabaena (Nostoc) sp. PCC 7120 Red Carotenoid Protein binding a mixture of carotenoids
Descriptor: BETA-CAROTENE, Red carotenoid protein (RCP)
Authors:Sutter, M, Leverrenz, R.L, Kerfeld, C.A.
Deposit date:2015-12-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Structure, Diversity, and Evolution of a New Family of Soluble Carotenoid-Binding Proteins in Cyanobacteria.
Mol Plant, 9, 2016
3H3E
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BU of 3h3e by Molmil
Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
Descriptor: ZINC ION, uncharacterized protein Tm1679
Authors:Cooper, D.R, Olekhnovitch, N, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-04-16
Release date:2009-07-14
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:Crystal structure of Tm1679, A METAL-DEPENDENT HYDROLASE OF THE BETA-LACTAMASE SUPERFAMILY
To be Published
8T6S
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BU of 8t6s by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 10 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-18
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6T
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BU of 8t6t by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 13 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-18
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6Y
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BU of 8t6y by Molmil
SpRY-Cas9:gRNA complex bound to non-target DNA with 1 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6O
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BU of 8t6o by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 0 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-16
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T78
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BU of 8t78 by Molmil
SpRY-Cas9:gRNA complex bound to non-target DNA with 8 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T76
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BU of 8t76 by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 3 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T77
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BU of 8t77 by Molmil
SpRY-Cas9:gRNA complex bound to non-target DNA with 6 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6P
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BU of 8t6p by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 2 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-16
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T7S
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BU of 8t7s by Molmil
SpRYmer bound to NAC PAM DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-21
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6X
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BU of 8t6x by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 18 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-19
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T79
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BU of 8t79 by Molmil
SpRY-Cas9:gRNA complex bound to non-target DNA with 10 bp R-loop
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
Authors:Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
Deposit date:2023-06-20
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T8S
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BU of 8t8s by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
8T8R
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BU of 8t8r by Molmil
Sortilin-PGRN peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ...
Authors:Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
Deposit date:2023-06-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural studies of Sortilin-PGRN peptide complex
To Be Published
7LHQ
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BU of 7lhq by Molmil
Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0
Descriptor: Non-structural protein 7
Authors:Lee, Y, Tonelli, M, Anderson, T.K, Kirchdoerfer, R.N, Henzler-Wildman, K, Lee, W.
Deposit date:2021-01-26
Release date:2022-02-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7
Biorxiv, 2021
7QLB
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BU of 7qlb by Molmil
SMYD3 in complex with fragment FL06268
Descriptor: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
Authors:Lund, B.A, Cederfelt, D, Dobritzsch, D.
Deposit date:2021-12-20
Release date:2023-03-29
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024

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PDB entries from 2024-09-11

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