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8EPI
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BU of 8epi by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*TP*A)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-10-05
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
2MC6
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BU of 2mc6 by Molmil
A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement
Descriptor: DNA-directed RNA polymerase subunit beta', RNA polymerase inhibitor p7
Authors:Liu, B, Shadrin, A, Sheppard, C, Xu, Y, Severinov, K, Matthews, S, Wigneshweraraj, S.
Deposit date:2013-08-15
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement.
Nucleic Acids Res., 42, 2014
6Y0G
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BU of 6y0g by Molmil
Structure of human ribosome in classical-PRE state
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
Deposit date:2020-02-07
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
1S1O
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BU of 1s1o by Molmil
NMR Structure of a D,L Alternating pentadecamer of norleucine: double antiparallel beta-helix
Descriptor: BOC-L-NLE-(D-NLE-L-NLE)5-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER
Authors:Navarro, E, Fennude, E, Celda, B.
Deposit date:2004-01-07
Release date:2004-02-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution structure of a D,L-alternating oligonorleucine as a model of double-stranded antiparallel beta-helix.
Biopolymers, 64, 2002
1S5O
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BU of 1s5o by Molmil
Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase
Descriptor: CARNITINE, carnitine acetyltransferase isoform 2
Authors:Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D.
Deposit date:2004-01-21
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase.
J.Struct.Biol., 146, 2004
8EPD
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BU of 8epd by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*GP*C)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-10-05
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
8EPG
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BU of 8epg by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*GP*C)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-10-05
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
1S30
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BU of 1s30 by Molmil
X-ray crystal structure of Desulfovibrio vulgaris Rubrerythrin with displacement of iron by zinc at the diiron Site
Descriptor: FE (III) ION, Rubrerythrin, ZINC ION
Authors:Jin, S, Kurtz Jr, D.M, Liu, Z.-J, Rose, J, Wang, B.-C.
Deposit date:2004-01-12
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Displacement of iron by zinc at the diiron site of Desulfovibrio vulgaris rubrerythrin: X-ray crystal structure and anomalous scattering analysis
J.Inorg.Biochem., 98, 2004
4JPR
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BU of 4jpr by Molmil
Structure of the ASLV fusion subunit core
Descriptor: ASLV fusion TM, CHLORIDE ION
Authors:Aydin, H, Smrke, B.M, Lee, J.E.
Deposit date:2013-03-19
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural characterization of a fusion glycoprotein from a retrovirus that undergoes a hybrid 2-step entry mechanism.
Faseb J., 27, 2013
8EP8
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BU of 8ep8 by Molmil
Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands
Descriptor: DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*C)-3')
Authors:Zhang, C, Zhao, J, Lu, B, Sha, R, Seeman, N.C, Noinaj, N, Mao, C.
Deposit date:2022-10-05
Release date:2023-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Engineering DNA Crystals toward Studying DNA-Guest Molecule Interactions.
J.Am.Chem.Soc., 145, 2023
6Y5K
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BU of 6y5k by Molmil
Extended Intermediate form of X-31 Influenza Haemagglutinin at pH 5 (State IV)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, X-31 Influenza Haemagglutinin HA2
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
7KEM
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BU of 7kem by Molmil
Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis
Descriptor: 6-CARBOXYLYSINE, D-GLUTAMIC ACID, Di-mu-iodobis(ethylenediamine)diplatinum(II), ...
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2020-10-11
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis.
To Be Published
1S58
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BU of 1s58 by Molmil
The structure of B19 parvovirus capsid
Descriptor: B19 parvovirus capsid
Authors:Kaufmann, B, Simpson, A.A, Rossmann, M.G.
Deposit date:2004-01-20
Release date:2004-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The structure of human parvovirus B19.
Proc.Natl.Acad.Sci.USA, 101, 2004
2MHU
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BU of 2mhu by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: CADMIUM ION, CD7 METALLOTHIONEIN-2
Authors:Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K.
Deposit date:1990-05-14
Release date:1991-04-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
6VB3
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BU of 6vb3 by Molmil
HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
6S3C
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BU of 6s3c by Molmil
Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-06-25
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
4J61
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BU of 4j61 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: One of twelve in MSCS set
Descriptor: Ribonuclease pancreatic, SULFATE ION, cyclopentanone
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
4J66
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BU of 4j66 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Dimethyl sulfoxide: One of twelve in MSCS set
Descriptor: DIMETHYL SULFOXIDE, Ribonuclease pancreatic, SULFATE ION
Authors:Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
Deposit date:2013-02-11
Release date:2014-01-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:DRoP: A program for analysis of water structure on protein surfaces
to be published
8U5W
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BU of 8u5w by Molmil
De novo designed pentameric helical bundle protein
Descriptor: WSHC5
Authors:Bick, M.J, Xu, C, Sankaran, B, Baker, D.
Deposit date:2023-09-13
Release date:2024-09-25
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:De novo Design of Near Infrared Fluorescent Proteins
To Be Published
8UBQ
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BU of 8ubq by Molmil
EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and 2-benzyl-4-phenylthiazole-5-carboxylic acid
Descriptor: 2-benzyl-4-phenyl-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ...
Authors:Wang, G, Heras, B.
Deposit date:2023-09-24
Release date:2024-09-25
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium
To Be Published
6YBK
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BU of 6ybk by Molmil
Structure of MBP-Mcl-1 in complex with compound 4d
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
5HK5
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BU of 5hk5 by Molmil
Structure of the Grem2-GDF5 Inhibitory Complex
Descriptor: Gremlin-2, Growth/differentiation factor 5
Authors:Nolan, K, Thompson, T.B, Read, R.J.
Deposit date:2016-01-13
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Gremlin-2 in Complex with GDF5 Gives Insight into DAN-Family-Mediated BMP Antagonism.
Cell Rep, 16, 2016
4K0V
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BU of 4k0v by Molmil
Structural basis for angiopoietin-1 mediated signaling initiation
Descriptor: Angiopoietin-1, TEK tyrosine kinase variant
Authors:Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A.
Deposit date:2013-04-04
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural basis for angiopoietin-1-mediated signaling initiation.
Proc.Natl.Acad.Sci.USA, 110, 2013
3EDW
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BU of 3edw by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-09-03
Release date:2010-03-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
8UP2
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BU of 8up2 by Molmil
Murine Fab JAR 4 bound to meningococcal Factor H binding protein
Descriptor: ACETATE ION, Factor H binding protein, sequence variant ID 1, ...
Authors:Beernink, P.T, Beernink, B.P.
Deposit date:2023-10-20
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of murine Fab JAR 4 bound to FHbp at 1.60-Angstroms resolution
To Be Published

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