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6EKD
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BU of 6ekd by Molmil
Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-09-26
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
1A2E
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BU of 1a2e by Molmil
CRYSTAL STRUCTURE OF A DOUBLE-STRANDED DNA DECAMER CONTAINING A CISPLATIN INTERSTRAND CROSS-LINK ADDUCT
Descriptor: Cisplatin, DNA (5'-D(*CP*CP*TP*CP*GP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*CP*GP*AP*GP*G)-3')
Authors:Coste, F, Zelwer, C.
Deposit date:1998-01-05
Release date:1999-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of a double-stranded DNA containing a cisplatin interstrand cross-link at 1.63 A resolution: hydration at the platinated site.
Nucleic Acids Res., 27, 1999
3HD6
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BU of 3hd6 by Molmil
Crystal Structure of the Human Rhesus Glycoprotein RhCG
Descriptor: Ammonium transporter Rh type C, octyl beta-D-glucopyranoside
Authors:Gruswitz, F, Chaudhary, S, Ho, J.D, Pezeshki, B, Ho, C.-M, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2009-05-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Function of human Rh based on structure of RhCG at 2.1 A.
Proc.Natl.Acad.Sci.USA, 107, 2010
5Z9Z
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BU of 5z9z by Molmil
The C-terminal RRM domain of Arabidopsis SMALL RNA DEGRADING NUCLEASE 1 (E329A/E330A/E332A)
Descriptor: CITRATE ANION, Small RNA degrading nuclease 1
Authors:Chen, J, Liu, L, You, C, Gu, J, Ruan, W, Zhang, L, Cao, C, Gan, J, Huang, Y, Chen, X, Ma, J.
Deposit date:2018-02-05
Release date:2018-06-27
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural and biochemical insights into small RNA 3' end trimming by Arabidopsis SDN1.
Nat Commun, 9, 2018
2B55
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BU of 2b55 by Molmil
Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312
Descriptor: 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2
Authors:Muckelbauer, J.
Deposit date:2005-09-27
Release date:2005-10-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
7DMW
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BU of 7dmw by Molmil
Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens
Descriptor: CITRATE ANION, CcpC
Authors:Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y.
Deposit date:2020-12-08
Release date:2021-10-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Functional and structural analysis of catabolite control protein C that responds to citrate.
Sci Rep, 11, 2021
3GAX
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BU of 3gax by Molmil
Crystal structure of monomeric human cystatin C stabilized against aggregation
Descriptor: Cystatin-C
Authors:Kolodziejczyk, R, Michalska, K, Hernandez-Santoyo, A, Wahlbom, M, Grubb, A, Jaskolski, M.
Deposit date:2009-02-18
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human cystatin C stabilized against amyloid formation.
Febs J., 277, 2010
2IZ8
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BU of 2iz8 by Molmil
MS2-RNA HAIRPIN (C-7) COMPLEX
Descriptor: MS2 COAT PROTEIN, RNA, (5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*CP*UP*CP* AP*CP*CP*CP*AP*UP*GP*U)-3')
Authors:Helgstrand, C, Grahn, E, Stonehouse, N.J, Stockley, P.G, Liljas, L.
Deposit date:2006-07-25
Release date:2006-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Investigating the Structural Basis of Purine Specificity in the Structures of MS2 Coat Protein RNA Translational Operator Hairpins
Nucleic Acids Res., 30, 2002
5EBM
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BU of 5ebm by Molmil
KcsA T75G mutant in the nonconductive state
Descriptor: Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ...
Authors:Matulef, K, Valiyaveetil, F.I.
Deposit date:2015-10-19
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
4BDB
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BU of 4bdb by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Descriptor: 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ...
Authors:Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
6KU7
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BU of 6ku7 by Molmil
structure of HRV-C 3C protein
Descriptor: Genome polyprotein
Authors:Zhu, L, Yuan, S.
Deposit date:2019-08-31
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the HRV-C 3C-Rupintrivir Complex Provides New Insights for Inhibitor Design.
Virol Sin, 35, 2020
2X6M
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BU of 2x6m by Molmil
Structure of a single domain camelid antibody fragment in complex with a C-terminal peptide of alpha-synuclein
Descriptor: ALPHA-SYNUCLEIN PEPTIDE, HEAVY CHAIN VARIABLE DOMAIN FROM DROMEDARY
Authors:DeGenst, E, Guilliams, T, Wellens, J, O'Day, E.M, Waudby, C.A, Meehan, S, Dumoulin, M, Hsu, S.-T.D, Cremades, N, Verschueren, K.H.G, Pardon, E, Wyns, L, Steyaert, J, Christodoulou, J, Dobson, C.M.
Deposit date:2010-02-18
Release date:2010-06-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure and Properties of a Complex of Alpha-Synuclein and a Single-Domain Camelid Antibody.
J.Mol.Biol., 402, 2010
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
Descriptor: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
1RRS
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BU of 1rrs by Molmil
MutY adenine glycosylase in complex with DNA containing an abasic site
Descriptor: 5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(HPD)P*GP*TP*CP*T)-3', CALCIUM ION, ...
Authors:Fromme, J.C, Banerjee, A, Huang, S.J, Verdine, G.L.
Deposit date:2003-12-08
Release date:2004-02-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for removal of adenine mispaired with 8-oxoguanine by MutY adenine DNA glycosylase
Nature, 427, 2004
5L3L
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BU of 5l3l by Molmil
D11 bound IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L3M
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BU of 5l3m by Molmil
D11 bound [S39_PQ]-IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
5L3N
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BU of 5l3n by Molmil
D11 bound [N29, S39_PQ]-IGF-II
Descriptor: Insulin-like growth factor II
Authors:Hexnerova, R.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
6EZI
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BU of 6ezi by Molmil
PDZK1 domain 4 in complex with C-terminal peptide of human PepT2.
Descriptor: GLYCEROL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Solute carrier family 15 member 2
Authors:Loew, C, Flayhan, A, Pieprzyk, J.
Deposit date:2017-11-15
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.503321 Å)
Cite:Probing the Architecture of a Multi-PDZ Domain Protein: Structure of PDZK1 in Solution.
Structure, 26, 2018
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
Descriptor: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5ICF
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BU of 5icf by Molmil
Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and sanguinarine
Descriptor: (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, ...
Authors:Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M.
Deposit date:2016-02-23
Release date:2016-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids.
Plant J., 87, 2016
3HL5
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BU of 3hl5 by Molmil
Crystal structure of XIAP BIR3 with CS3
Descriptor: (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Hymowitz, S.G.
Deposit date:2009-05-26
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.
Acs Chem.Biol., 4, 2009
7EAO
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BU of 7eao by Molmil
The structure of the A20-binding inhibitor of NF-kB 1 in complex with tri-ubiquitin
Descriptor: Polyubiquitin-C, TNFAIP3-interacting protein 1
Authors:Lo, Y.C, Lin, S.C.
Deposit date:2021-03-07
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Biochemical Basis for Higher-Order Assembly between A20-Binding Inhibitor of NF-kappa B 1 (ABIN1) and M1-Linked Ubiquitins.
J.Mol.Biol., 433, 2021
3HRO
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BU of 3hro by Molmil
Crystal structure of a C-terminal coiled coil domain of Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2, polycystic kidney disease 2)
Descriptor: Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2), also called Polycystin-2 or polycystic kidney disease 2(PKD2)
Authors:Yu, Y, Ulbrich, M.H, Li, M.-H, Buraei, Z, Chen, X.-Z, Ong, A.C.M, Tong, L, Isacoff, E.Y, Yang, J.
Deposit date:2009-06-09
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and molecular basis of the assembly of the TRPP2/PKD1 complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
2JEG
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BU of 2jeg by Molmil
The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P.
Deposit date:2007-01-17
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
2JEI
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BU of 2jei by Molmil
The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*T)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P.
Deposit date:2007-01-17
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007

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