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4KJK
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BU of 4kjk by Molmil
Room Temperature WT DHFR
Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
5JMT
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BU of 5jmt by Molmil
Crystal structure of Zika virus NS3 helicase
Descriptor: NS3 helicase
Authors:Tian, H, Ji, X, Yang, X, Xie, W, Yang, K, Chen, C, Wu, C, Chi, H, Mu, Z, Wang, Z, Yang, H.
Deposit date:2016-04-29
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:The crystal structure of Zika virus helicase: basis for antiviral drug design
Protein Cell, 7, 2016
1IXS
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BU of 1ixs by Molmil
Structure of RuvB complexed with RuvA domain III
Descriptor: Holliday junction DNA helicase ruvA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RuvB
Authors:Yamada, K, Miyata, T, Tsuchiya, D, Oyama, T, Fujiwara, Y, Ohnishi, T, Iwasaki, H, Shinagawa, H, Ariyoshi, M, Mayanagi, K, Morikawa, K.
Deposit date:2002-07-04
Release date:2002-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the RuvA-RuvB Complex: A Structural Basis for the Holliday Junction Migrating Motor Machinery
Mol.Cell, 10, 2002
1IXR
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BU of 1ixr by Molmil
RuvA-RuvB complex
Descriptor: Holliday junction DNA helicase ruvA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RuvB
Authors:Yamada, K, Miyata, T, Tsuchiya, D, Oyama, T, Fujiwara, Y, Ohnishi, T, Iwasaki, H, Shinagawa, H, Ariyoshi, M, Mayanagi, K, Morikawa, K.
Deposit date:2002-07-04
Release date:2002-11-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of the RuvA-RuvB Complex: A Structural Basis for the Holliday Junction Migrating Motor Machinery
Mol.Cell, 10, 2002
1HQC
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BU of 1hqc by Molmil
STRUCTURE OF RUVB FROM THERMUS THERMOPHILUS HB8
Descriptor: ADENINE, MAGNESIUM ION, RUVB
Authors:Yamada, K, Kunishima, N, Mayanagi, K, Iwasaki, H, Morikawa, K.
Deposit date:2000-12-15
Release date:2001-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the Holliday junction migration motor protein RuvB from Thermus thermophilus HB8.
Proc.Natl.Acad.Sci.USA, 98, 2001
1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor: CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
1GLN
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BU of 1gln by Molmil
ARCHITECTURES OF CLASS-DEFINING AND SPECIFIC DOMAINS OF GLUTAMYL-TRNA SYNTHETASE
Descriptor: GLUTAMYL-TRNA SYNTHETASE
Authors:Nureki, O, Vassylyev, D.G, Katayanagi, K, Shimizu, T, Sekine, S, Kigawa, T, Miyazawa, T, Yokoyama, S, Morikawa, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:1994-07-20
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Architectures of class-defining and specific domains of glutamyl-tRNA synthetase.
Science, 267, 1995
5GWZ
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BU of 5gwz by Molmil
The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease
Authors:Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H.
Deposit date:2016-09-14
Release date:2017-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus
J. Med. Chem., 60, 2017
5GXJ
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BU of 5gxj by Molmil
Zika Virus NS2B-NS3 protease
Descriptor: FLAVIVIRUS_NS2B,LINKER,Peptidase S7
Authors:Yang, H, Chen, X, Ji, X, Xiong, Y, Yang, K.
Deposit date:2016-09-18
Release date:2017-05-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Viral protease activation mechanism
To Be Published
2AMD
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BU of 2amd by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
Descriptor: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-09
Release date:2005-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
1WNO
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BU of 1wno by Molmil
Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
Deposit date:2004-08-07
Release date:2005-03-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
2AMQ
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BU of 2amq by Molmil
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5Z0R
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BU of 5z0r by Molmil
Structural insight into the Zika virus capsid encapsulating the viral genome
Descriptor: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
Deposit date:2017-12-20
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
5DNB
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BU of 5dnb by Molmil
STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-G-T-T-G-G AND COMPARISON WITH ISOMORPHOUS DECAMERS C-C-A-A-G-A-T-T-G-G AND C-C-A-G-G-C-C-T-G-G
Descriptor: DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Prive, G.G, Yanagi, K, Dickerson, R.E.
Deposit date:1990-03-22
Release date:1991-10-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.
J.Mol.Biol., 217, 1991
1D49
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BU of 1d49 by Molmil
THE STRUCTURE OF A B-DNA DECAMER WITH A CENTRAL T-A STEP: C-G-A-T-T-A-A-T-C-G
Descriptor: DNA (5'-D(*CP*GP*AP*TP*TP*AP*AP*TP*CP*G)-3'), MAGNESIUM ION
Authors:Quintana, J.R, Grzeskowiak, K, Yanagi, K, Dickerson, R.E.
Deposit date:1991-09-17
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a B-DNA decamer with a central T-A step: C-G-A-T-T-A-A-T-C-G.
J.Mol.Biol., 225, 1992
5Z0V
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BU of 5z0v by Molmil
Structural insight into the Zika virus capsid encapsulating the viral genome
Descriptor: Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H.
Deposit date:2017-12-21
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
Descriptor: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
4I23
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BU of 4i23 by Molmil
Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked)
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
1ENK
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BU of 1enk by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
Descriptor: ENDONUCLEASE V
Authors:Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
Deposit date:1994-08-08
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
4I22
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BU of 4i22 by Molmil
Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
Descriptor: Epidermal growth factor receptor, Gefitinib, SULFATE ION
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
Deposit date:2004-08-18
Release date:2005-08-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
1ENJ
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BU of 1enj by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
Descriptor: ENDONUCLEASE V
Authors:Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
Deposit date:1994-08-08
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
7LMC
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BU of 7lmc by Molmil
Structure of SARS CoV-2 main protease shows simultaneous processing of its N- and C-terminii
Descriptor: 3C-like proteinase, Non-structural protein 4 peptide
Authors:Gajiwala, K.S, Ferre, R.A, Liu, W, Ryan, K.
Deposit date:2021-02-05
Release date:2021-04-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.977 Å)
Cite:SARS coronavirus-2 main protease dimer auto-processes N-terminus in cis and C-terminus in trans
To Be Published
4I1Z
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BU of 4i1z by Molmil
Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M
Descriptor: Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013

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