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5SQW
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BU of 5sqw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5014193706 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RP1
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BU of 2rp1 by Molmil
Refined solution structure of the PEMV-1 mRNA pseudoknot, regularized average structure
Descriptor: PEMV-1 mRNA pseudoknot
Authors:Cornish, P.V, Hennig, M, Giedroc, D.P.
Deposit date:2008-04-25
Release date:2009-03-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Frameshifting RNA pseudoknots: Structure and mechanism.
Virus Res., 139, 2009
8HHI
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BU of 8hhi by Molmil
Crystal structure of a triple-helix region of human collagen type III
Descriptor: human collagen type III
Authors:Yan, Z.C, Zhang, D, Qin, B.
Deposit date:2022-11-16
Release date:2023-01-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a triple-helix region of human collagen type III
To Be Published
5SR1
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BU of 5sr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1272415642 - (R) isomer
Descriptor: (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H0S
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BU of 8h0s by Molmil
Crystal structure of MnmM from B. subtilis complexed with Gln-TTG anti-codon stem loop and SAM (2.90 A)
Descriptor: Putative rRNA methylase YtqB, RNA (5'-R(*AP*CP*GP*GP*AP*CP*UP*UP*UP*GP*AP*CP*UP*CP*CP*GP*U)-3'), S-ADENOSYLMETHIONINE
Authors:Kim, J, Lee, J, Cho, G.
Deposit date:2022-09-30
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
Deposit date:2014-08-11
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
2RP5
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BU of 2rp5 by Molmil
Solution structure of the oligomerization domain in CEP-1
Descriptor: Putative uncharacterized protein cep-1
Authors:Ou, H.D, Doetsch, V.
Deposit date:2008-05-01
Release date:2008-05-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural evolution of C-terminal domains in the p53 family
Embo J., 26, 2007
2RQH
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BU of 2rqh by Molmil
Structure of GSPT1/ERF3A-PABC
Descriptor: G1 to S phase transition 1, Polyadenylate-binding protein 1
Authors:Osawa, M, Nakanishi, T, Hosoda, N, Uchida, S, Hoshino, T, Katada, I, Shimada, I.
Deposit date:2009-05-08
Release date:2010-05-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Eukaryotic Translation Termination Factor Gspt/Erf3 Recognizes Pabp with Chemical Exchange Using Two Overlapping Motifs
To be Published
5SOO
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BU of 5soo by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000897286891 - (R) isomer
Descriptor: 4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4URS
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BU of 4urs by Molmil
Crystal Structure of GGDEF domain from T.maritima
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIGUANYLATE CYCLASE, ...
Authors:Deepthi, A, Liew, C.W, Liang, Z.X, Swaminathan, K, Lescar, J.
Deposit date:2014-07-02
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
8H0T
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BU of 8h0t by Molmil
Crystal structure of MnmM from B. subtilis complexed with SAH (1.17 A)
Descriptor: Putative rRNA methylase YtqB, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kim, J, Lee, J, Cho, G.
Deposit date:2022-09-30
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
5SOM
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BU of 5som by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000835985505 - (S) isomer
Descriptor: Non-structural protein 3, [(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RQV
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BU of 2rqv by Molmil
Solution structure of SH3CI domain of Bem1p
Descriptor: Bud emergence protein 1
Authors:Takaku, T, Ogura, K, Inagaki, F.
Deposit date:2009-12-21
Release date:2010-04-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of a novel Cdc42-binding module of Bem1 and its interaction with Ste20 and Cdc42
J.Biol.Chem., 285, 2010
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
Descriptor: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
Authors:Wang, J.W.
Deposit date:2022-11-12
Release date:2023-02-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
2RR7
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BU of 2rr7 by Molmil
Microtubule Binding Domain of DYNEIN-C
Descriptor: Dynein heavy chain 9
Authors:Kato, Y, Yagi, T, Ohki, S, Burgess, S, Honda, S, Kamiya, R, Tanokura, M.
Deposit date:2010-06-04
Release date:2011-06-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the microtubule-binding domain of flagellar dynein
Structure, 22, 2014
8HR7
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BU of 8hr7 by Molmil
Structure of RdrA-RdrB complex
Descriptor: Adenosine deaminase, Archaeal ATPase
Authors:Gao, Y.
Deposit date:2022-12-15
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
4V16
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BU of 4v16 by Molmil
KlHsv2 with loop 6CD replaced by a Gly-Ser linker
Descriptor: SVP1-LIKE PROTEIN 2
Authors:Busse, R.A, Scacioc, A, Krick, R, Perez-Lara, A, Thumm, M, Kuhnel, K.
Deposit date:2014-09-25
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of Proppin-Phosphoinositide Binding and Role of Loop 6Cd in Proppin-Membrane Binding.
Biophys.J., 108, 2015
5SQZ
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BU of 5sqz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1039058598
Descriptor: N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H98
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BU of 8h98 by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 1
Descriptor: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
Authors:Qiao, H, Xia, M, Wang, J, Fang, P.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
4UQS
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BU of 4uqs by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-Bromo-7-Nitroindazole
Descriptor: 3-BROMO-7-NITROINDAZOLE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-06-24
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Redox Partners and Development of a Novel Chimeric Bacterial Nitric Oxide Synthase for Structure Activity Analyses.
J.Biol.Chem., 289, 2014
5SR2
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BU of 5sr2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with EN300-36602160
Descriptor: (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2R8G
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BU of 2r8g by Molmil
Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DT)-3', 5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3', ...
Authors:Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P.
Deposit date:2007-09-10
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
8H1B
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BU of 8h1b by Molmil
Crystal structure of MnmM from S. aureus complexed with SAM and tRNA anti-codon stem loop (ASL) (1.55 A)
Descriptor: RNA (5'-R(*AP*CP*GP*GP*AP*CP*UP*UP*UP*GP*AP*CP*UP*CP*CP*GP*U)-3'), S-ADENOSYLMETHIONINE, SODIUM ION, ...
Authors:Kim, J, Cho, G, Lee, J.
Deposit date:2022-10-01
Release date:2023-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
4UQV
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BU of 4uqv by Molmil
methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
Authors:Saccoccia, F, Angelucci, F, Ilari, A.
Deposit date:2014-06-25
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Proteins, 82, 2014

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PDB entries from 2024-10-16

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