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3IVM
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BU of 3ivm by Molmil
apPEP_WT+PP closed state
Descriptor: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-09-01
Release date:2010-05-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUQ
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BU of 3iuq by Molmil
apPEP_D622N+PP closed state
Descriptor: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IJK
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BU of 3ijk by Molmil
5-OMe modified DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Zhang, W, Hassan, A.E.A, Gan, J, Huang, Z.
Deposit date:2009-08-04
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
Descriptor: GLYCEROL, Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Descriptor: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7V2Z
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BU of 7v2z by Molmil
ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ...
Authors:Lin, M.M, Yang, H.T.
Deposit date:2021-08-10
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10101676 Å)
Cite:Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
Descriptor: Prolyl endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
Descriptor: GLYCEROL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
6MFO
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BU of 6mfo by Molmil
Crystal Structure of Human Protocadherin-15 EC1-3 G16D N369D Q370N
Descriptor: CALCIUM ION, Protocadherin-15
Authors:Choudhary, D, Sotomayor, M.
Deposit date:2018-09-11
Release date:2019-09-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
3LCT
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BU of 3lct by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALK tyrosine kinase receptor, GLYCEROL
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
6N22
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BU of 6n22 by Molmil
Crystal structure of mouse Protocadherin-15 EC1-2 BAP
Descriptor: CALCIUM ION, Protocadherin-15
Authors:Narui, Y, Sotomayor, M.
Deposit date:2018-11-12
Release date:2019-11-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 117, 2020
6N2E
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BU of 6n2e by Molmil
Crystal Structure of Human Protocadherin-15 EC1-3 G16D N369D Q370N and Mouse Cadherin-23 EC1-2 T15E
Descriptor: CALCIUM ION, Cadherin-23, Protocadherin-15
Authors:Choudhary, D, De-la-Torre, P, Sotomayor, M.
Deposit date:2018-11-12
Release date:2019-11-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 117, 2020
6BWN
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BU of 6bwn by Molmil
Crystal Structure of Mouse Protocadherin-15 EC6-7
Descriptor: CALCIUM ION, POTASSIUM ION, Protocadherin-15
Authors:Neel, B.L, Klanseck, C.F, Sotomayor, M.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LTU
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BU of 3ltu by Molmil
5-SeMe-dU containing DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z.
Deposit date:2010-02-16
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
7X4E
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BU of 7x4e by Molmil
Structure of 10635-DndE
Descriptor: DNA sulfur modification protein DndE, GLYCEROL
Authors:Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G.
Deposit date:2022-03-02
Release date:2022-04-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635.
Mbio, 13, 2022
4FIH
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BU of 4fih by Molmil
Catalytic domain of human PAK4 with QKFTGLPRQW peptide
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FIF
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BU of 4fif by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
6BXU
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BU of 6bxu by Molmil
Crystal Structure of Mouse Protocadherin-15 EC5-7 I582T
Descriptor: CALCIUM ION, Protocadherin-15
Authors:Neel, B.L, Sotomayor, M.
Deposit date:2017-12-19
Release date:2018-12-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
3MR1
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BU of 3mr1 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Methionine aminopeptidase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
4FII
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BU of 4fii by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012

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