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1QKK
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BU of 1qkk by Molmil
Crystal structure of the receiver domain and linker region of DctD from Sinorhizobium meliloti
Descriptor: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Meyer, M.G, Park, S, Zeringue, L, Staley, M, Mckinstry, M, Kaufman, R.I, Zhang, H, Yan, D, Yennawar, N, Farber, G.K, Nixon, B.T.
Deposit date:1999-07-23
Release date:2000-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A dimeric two-component receiver domain inhibits the sigma54-dependent ATPase in DctD.
Faseb J., 15, 2001
2NC5
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BU of 2nc5 by Molmil
Solution Structure of N-Xylosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-xylopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC4
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BU of 2nc4 by Molmil
Solution Structure of N-Galactosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-galactopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC6
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BU of 2nc6 by Molmil
Solution Structure of N-L-idosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-L-idopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
2NC3
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BU of 2nc3 by Molmil
Solution Structure of N-Allosylated Pin1 WW Domain
Descriptor: Pin1 WW Domain, beta-D-allopyranose
Authors:Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W.
Deposit date:2016-03-20
Release date:2016-06-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
1VA4
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BU of 1va4 by Molmil
Pseudomonas fluorescens aryl esterase
Descriptor: Arylesterase, GLYCEROL
Authors:Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J.
Deposit date:2004-02-11
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
2AIV
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BU of 2aiv by Molmil
Multiple conformations in the ligand-binding site of the yeast nuclear pore targeting domain of NUP116P
Descriptor: fragment of Nucleoporin NUP116/NSP116
Authors:Robinson, M.A, Park, S, Sun, Z.-Y.J, Silver, P, Wagner, G, Hogle, J.
Deposit date:2005-08-01
Release date:2005-08-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Multiple Conformations in the Ligand-binding Site of the Yeast Nuclear Pore-targeting Domain of Nup116p
J.Biol.Chem., 280, 2005
4JPO
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BU of 4jpo by Molmil
5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1
Descriptor: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
Authors:Lovell, S, Battaile, K.P, Singh, R, Roelofs, J.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5 Å)
Cite:Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
6LXX
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BU of 6lxx by Molmil
Frog EPDR1 with an Ir atom
Descriptor: CALCIUM ION, CHLORIDE ION, Ependymin-related 1, ...
Authors:Park, S, Park, J.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Single Soaked Iridium (IV) Ion Observed in the Frog Ependymin-Related Protein.
Bull.Korean Chem.Soc., 41, 2020
2JPX
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BU of 2jpx by Molmil
A18H Vpu TM structure in lipid bilayers
Descriptor: Vpu protein
Authors:Park, S, Opella, S.J.
Deposit date:2007-05-25
Release date:2007-11-13
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Conformational changes induced by a single amino acid substitution in the trans-membrane domain of Vpu: implications for HIV-1 susceptibility to channel blocking drugs
Protein Sci., 16, 2007
2KLV
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BU of 2klv by Molmil
Membrane-bound structure of the Pf1 major coat protein in DHPC micelle
Descriptor: Capsid protein G8P
Authors:Park, S, Son, W, Mukhopadhyay, R, Valafar, H, Opella, S.J.
Deposit date:2009-07-08
Release date:2009-10-06
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Phage-induced alignment of membrane proteins enables the measurement and structural analysis of residual dipolar couplings with dipolar waves and lambda-maps.
J.Am.Chem.Soc., 131, 2009
2KSJ
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BU of 2ksj by Molmil
Structure and Dynamics of the Membrane-bound form of Pf1 Coat Protein: Implications for Structural Rearrangement During Virus Assembly
Descriptor: Capsid protein G8P
Authors:Park, S, Marassi, F, Black, D, Opella, S.J.
Deposit date:2010-01-05
Release date:2010-11-10
Last modified:2024-05-01
Method:SOLID-STATE NMR, SOLUTION NMR
Cite:Structure and dynamics of the membrane-bound form of Pf1 coat protein: implications of structural rearrangement for virus assembly.
Biophys.J., 99, 2010
2LNL
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BU of 2lnl by Molmil
Structure of human CXCR1 in phospholipid bilayers
Descriptor: C-X-C chemokine receptor type 1
Authors:Park, S, Das, B.B, Casagrande, F, Nothnagel, H, Chu, M, Kiefer, H, Maier, K, De Angelis, A, Marassi, F.M, Opella, S.J.
Deposit date:2011-12-31
Release date:2012-10-17
Last modified:2016-04-27
Method:SOLID-STATE NMR
Cite:Structure of the chemokine receptor CXCR1 in phospholipid bilayers.
Nature, 491, 2012
6AGQ
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BU of 6agq by Molmil
Acetyl xylan esterase from Paenibacillus sp. R4
Descriptor: ZINC ION, acetyl xylan esterase
Authors:Park, S, Lee, C.W, Lee, J.H.
Deposit date:2018-08-13
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and functional characterization of a cold-active acetyl xylan esterase (PbAcE) from psychrophilic soil microbe Paenibacillus sp.
PLoS ONE, 13, 2018
4URP
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BU of 4urp by Molmil
The Crystal structure of Nitroreductase from Saccharomyces cerevisiae
Descriptor: FATTY ACID REPRESSION MUTANT PROTEIN 2
Authors:Song, H.-N, Woo, E.-J, Bang, S.-Y, Jung, D.-G, Park, S.-G.
Deposit date:2014-07-01
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Crystal Structure of the Fungal Nitroreductase Frm2 from Saccharomyces Cerevisiae.
Protein Sci., 24, 2015
7QLL
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BU of 7qll by Molmil
rsKiiro Thermal annealing at 290K of 200K Cis intermediate
Descriptor: GLYCEROL, SULFATE ION, rsKiiro
Authors:van Thor, J.J, Baxter, J.M.
Deposit date:2021-12-20
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.324 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLK
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BU of 7qlk by Molmil
Cis structure intermediate of rsKiiro Illuminated at 200 K
Descriptor: GLYCEROL, SULFATE ION, rsKiiro
Authors:van Thor, J.J, Baxter, J.M.
Deposit date:2021-12-20
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.458 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLI
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BU of 7qli by Molmil
Cis structure of rsKiiro at 290 K
Descriptor: GLYCEROL, SULFATE ION, rsKiiro
Authors:van Thor, J.J, Baxter, J.M.
Deposit date:2021-12-20
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.155 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLJ
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BU of 7qlj by Molmil
Trans structure of rsKiiro Illuminated at 290 K
Descriptor: SULFATE ION, rsKiiro
Authors:van Thor, J.J, Baxter, J.M.
Deposit date:2021-12-20
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
Authors:Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
Descriptor: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
Deposit date:2023-10-23
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
7QLM
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BU of 7qlm by Molmil
rsKiiro trans chromophore dark structure by SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023
7QLN
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BU of 7qln by Molmil
rsKiiro pump probe structure by TR-SFX
Descriptor: rsKiiro
Authors:van Thor, J.J.
Deposit date:2021-12-20
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optical control of ultrafast structural dynamics in a fluorescent protein.
Nat.Chem., 15, 2023

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