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6S5V
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BU of 6s5v by Molmil
Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue
Descriptor: (1~{S},2~{S},3~{S},6~{R})-2-[[2-[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid, GLYCEROL, POTASSIUM ION, ...
Authors:Keown, J.R, Fodor, E, Grimes, J.M.
Deposit date:2019-07-02
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region.
J.Med.Chem., 62, 2019
4R3B
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BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2014-08-14
Release date:2015-01-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
3KD5
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BU of 3kd5 by Molmil
Closed ternary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair and phosphonoformic acid.
Descriptor: DNA (5'-D(*CP*GP*TP*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(4DG))-3'), DNA polymerase, ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2009-10-22
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Phosphonoformic acid inhibits viral replication by trapping the closed form of the DNA polymerase.
J.Biol.Chem., 286, 2011
4R5P
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BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
Descriptor: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-08-21
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
3KD1
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BU of 3kd1 by Molmil
Closed binary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair.
Descriptor: DNA (5'-D(*CP*GP*TP*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(4DG))-3'), DNA polymerase, ...
Authors:Zahn, K.E, Doublie, S.
Deposit date:2009-10-22
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Phosphonoformic acid inhibits viral replication by trapping the closed form of the DNA polymerase.
J.Biol.Chem., 286, 2011
6RG0
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BU of 6rg0 by Molmil
Structure of pdxj
Descriptor: Pyridoxine 5'-phosphate synthase
Authors:Rohweder, B, Rajendran, C, Sterner, R.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.074 Å)
Cite:Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression.
Biochemistry, 58, 2019
1R63
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BU of 1r63 by Molmil
STRUCTURAL ROLE OF A BURIED SALT BRIDGE IN THE 434 REPRESSOR DNA-BINDING DOMAIN, NMR, 20 STRUCTURES
Descriptor: REPRESSOR PROTEIN FROM BACTERIOPHAGE 434
Authors:Pervushin, K.V, Billeter, M, Siegal, G, Wuthrich, K.
Deposit date:1996-11-08
Release date:1997-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural role of a buried salt bridge in the 434 repressor DNA-binding domain.
J.Mol.Biol., 264, 1996
4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2013-10-02
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7992 Å)
Cite:Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, OXA-48
Authors:Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
Deposit date:2009-05-05
Release date:2009-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.082 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
Descriptor: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
7MXJ
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BU of 7mxj by Molmil
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 1
Descriptor: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases
Authors:Lisa, M.N, Alzari, P.M.
Deposit date:2021-05-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.
Mbio, 12, 2021
7MXB
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BU of 7mxb by Molmil
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum in complex with AMP-PNP
Descriptor: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases
Authors:Lisa, M.N, Alzari, P.M.
Deposit date:2021-05-18
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.
Mbio, 12, 2021
7MXK
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BU of 7mxk by Molmil
Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum (residues 130-433) in complex with AMP-PNP, isoform 2
Descriptor: MAGNESIUM ION, MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE, Serine/threonine protein kinases
Authors:Lisa, M.N, Alzari, P.M.
Deposit date:2021-05-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.
Mbio, 12, 2021
5SAV
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BU of 5sav by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A, P212121, Rfree=23.5%
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAY
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BU of 5say by Molmil
DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 2.190A, P1211, Rfree=27.7%
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB1
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BU of 5sb1 by Molmil
DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4%
Descriptor: 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB2
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BU of 5sb2 by Molmil
DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2%
Descriptor: 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAZ
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BU of 5saz by Molmil
DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2%
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAU
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BU of 5sau by Molmil
DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1%
Descriptor: 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, Epithelial discoidin domain-containing receptor 1, MALONATE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAW
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BU of 5saw by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6%
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SAX
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BU of 5sax by Molmil
DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form
Descriptor: 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
5SB0
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BU of 5sb0 by Molmil
DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6%
Descriptor: CHLORIDE ION, Epithelial discoidin domain-containing receptor 1, IODIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of a DDR1 complex
To be published
2R63
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BU of 2r63 by Molmil
STRUCTURAL ROLE OF A BURIED SALT BRIDGE IN THE 434 REPRESSOR DNA-BINDING DOMAIN, NMR, 20 STRUCTURES
Descriptor: REPRESSOR PROTEIN FROM BACTERIOPHAGE 434
Authors:Pervushin, K.V, Billeter, M, Siegal, G, Wuthrich, K.
Deposit date:1996-11-13
Release date:1997-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural role of a buried salt bridge in the 434 repressor DNA-binding domain.
J.Mol.Biol., 264, 1996

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