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7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
Descriptor: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
Descriptor: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
5X3F
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BU of 5x3f by Molmil
Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain
Descriptor: Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha
Authors:Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
Deposit date:2017-02-05
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
5XQH
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BU of 5xqh by Molmil
Crystal structure of truncated human Rogdi
Descriptor: Protein rogdi homolog
Authors:Lee, H, Lee, C.
Deposit date:2017-06-07
Release date:2017-07-12
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome
Sci Rep, 7, 2017
5XBY
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BU of 5xby by Molmil
Crystal structure of the PKA-Protein A fusion protein (end-to-end fusion)
Descriptor: cAMP-dependent protein kinase type II-alpha regulatory subunit,Immunoglobulin G-binding protein A
Authors:Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
Deposit date:2017-03-21
Release date:2017-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
5XQI
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BU of 5xqi by Molmil
Crystal structure of full-length human Rogdi
Descriptor: Protein rogdi homolog
Authors:Lee, H, Lee, C.
Deposit date:2017-06-07
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome
Sci Rep, 7, 2017
6WAZ
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BU of 6waz by Molmil
+1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state)
Descriptor: HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ...
Authors:Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V.
Deposit date:2020-03-26
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
8P25
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BU of 8p25 by Molmil
Solution structure of a chimeric U2AF2 RRM2 / FUBP1 N-Box
Descriptor: Splicing factor U2AF 65 kDa subunit,Far upstream element-binding protein 1
Authors:Hipp, C, Sattler, M.
Deposit date:2023-05-14
Release date:2023-07-26
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns.
Mol.Cell, 83, 2023
5Y3D
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BU of 5y3d by Molmil
Structural insight into the interaction between RNA polymerase and VPg for norovirus replication
Descriptor: RNA-dependent RNA polymerase, viral protein genome-linked (VPg)
Authors:Kim, K.H, Lee, J.-H, Seok, J.H.
Deposit date:2017-07-28
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Insight Into the Interaction Between RNA Polymerase and VPg for Murine Norovirus Replication.
Front Microbiol, 9, 2018
6WB0
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BU of 6wb0 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state)
Descriptor: HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ...
Authors:Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V.
Deposit date:2020-03-26
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
6WB1
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BU of 6wb1 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (intermediate state)
Descriptor: HIV-1 viral RNA genome fragment, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, reverse transcriptase p51 subunit, ...
Authors:Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V.
Deposit date:2020-03-26
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
6WB2
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BU of 6wb2 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (displaced state)
Descriptor: HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ...
Authors:Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V.
Deposit date:2020-03-26
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
4HFR
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BU of 4hfr by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
Authors:Ogg, D.J, Gerhardt, S, Hargreaves, D.
Deposit date:2012-10-05
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
1JPS
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BU of 1jps by Molmil
Crystal structure of tissue factor in complex with humanized Fab D3h44
Descriptor: immunoglobulin Fab D3H44, heavy chain, light chain, ...
Authors:Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
Deposit date:2001-08-03
Release date:2002-02-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
1JPT
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BU of 1jpt by Molmil
Crystal Structure of Fab D3H44
Descriptor: immunoglobulin Fab D3H44, heavy chain, immunoglobulin Fab D3h44, ...
Authors:Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A.
Deposit date:2001-08-03
Release date:2002-02-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
6L97
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BU of 6l97 by Molmil
Complex of DNA polymerase IV and L-DNA duplex
Descriptor: DNA (5'-D(*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DG)P*(0DG)P*(0DA)P*(0DT)P*(0DT)P*(0DC)P*(0DC))-3'), DNA (5'-D(P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DT)P*(0DC)P*(0DC)P*(0DT)P*(0DT)P*(0DC)P*(0DC)P*(0DC)P*(0DC)P*(0DC))-3'), DNA polymerase IV
Authors:Chung, H.S, An, J, Hwang, D.
Deposit date:2019-11-08
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
6L84
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BU of 6l84 by Molmil
Complex of DNA polymerase IV and D-DNA duplex
Descriptor: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Chung, H.S, An, J, Hwang, D.
Deposit date:2019-11-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
6Q96
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BU of 6q96 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kallen, J.
Deposit date:2018-12-17
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6BSU
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BU of 6bsu by Molmil
Crystal structure of xyloglucan xylosyltransferase I
Descriptor: MANGANESE (II) ION, Xyloglucan 6-xylosyltransferase 1
Authors:Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
Deposit date:2017-12-04
Release date:2018-05-23
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
Descriptor: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
Deposit date:2015-03-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
6BSW
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BU of 6bsw by Molmil
Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
Deposit date:2017-12-04
Release date:2018-05-23
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSV
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BU of 6bsv by Molmil
Crystal structure of Xyloglucan Xylosyltransferase binary form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, NITRATE ION, ...
Authors:Zabotina, O.A, Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B.
Deposit date:2017-12-04
Release date:2018-05-23
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.433 Å)
Cite:Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Z0V
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BU of 4z0v by Molmil
The structure of human PDE12 residues 161-609
Descriptor: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
Authors:Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
Deposit date:2015-03-26
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
5JNM
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BU of 5jnm by Molmil
Crystal structure of MtlD from Staphylococcus aureus at 1.7-Angstrom resolution
Descriptor: Mannitol-1-phosphate 5-dehydrogenase, SULFATE ION
Authors:Ta, H.M, Nguyen, T, Kim, T, Kim, K.K.
Deposit date:2016-04-30
Release date:2017-11-08
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Targeting Mannitol Metabolism as an Alternative Antimicrobial Strategy Based on the Structure-Function Study of Mannitol-1-Phosphate Dehydrogenase in Staphylococcus aureus.
Mbio, 10, 2019
5AAO
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BU of 5aao by Molmil
Crystal structure of fluorogen-activating designed ankyrin repeat protein (DARPin) dimer in complex with malachite green
Descriptor: 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline, FAD3210
Authors:Batyuk, A, Schuetz, M, Kummer, L, Wu, Y, Mittl, P, Plueckthun, A.
Deposit date:2015-07-27
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Generation of Fluorogen-Activating Designed Ankyrin Repeat Proteins (FADAs) as Versatile Sensor Tools.
J. Mol. Biol., 428, 2016

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