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1T84
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BU of 1t84 by Molmil
Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor
Descriptor: (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL, Wiskott-Aldrich syndrome protein
Authors:Peterson, J.R, Bickford, L.C, Morgan, D, Kim, A.S, Ouerfelli, O, Kirschner, M.W, Rosen, M.K.
Deposit date:2004-05-11
Release date:2004-07-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation.
Nat.Struct.Mol.Biol., 11, 2004
1CEE
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BU of 1cee by Molmil
SOLUTION STRUCTURE OF CDC42 IN COMPLEX WITH THE GTPASE BINDING DOMAIN OF WASP
Descriptor: GTP-BINDING RHO-LIKE PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Abdul-Manan, N, Aghazadeh, B, Liu, G.A, Majumdar, A, Ouerfelli, O, Rosen, M.K.
Deposit date:1999-03-08
Release date:1999-06-30
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of Cdc42 in complex with the GTPase-binding domain of the 'Wiskott-Aldrich syndrome' protein.
Nature, 399, 1999
3G5P
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BU of 3g5p by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
Descriptor: COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ...
Authors:Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
Deposit date:2009-02-05
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
3G5K
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BU of 3g5k by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
Descriptor: ACTINONIN, COBALT (II) ION, Peptide deformylase, ...
Authors:Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
Deposit date:2009-02-05
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
6U2U
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BU of 6u2u by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2019-08-20
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
7SHO
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BU of 7sho by Molmil
Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242)
Descriptor: (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J.
Deposit date:2021-10-10
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
7SHP
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BU of 7shp by Molmil
Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244)
Descriptor: (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J.
Deposit date:2021-10-11
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
6MGN
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BU of 6mgn by Molmil
mouse Id1 (51-104) - human hE47 (348-399) complex
Descriptor: DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha
Authors:Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MGM
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BU of 6mgm by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6CT5
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BU of 6ct5 by Molmil
PptT PAP(CoA) 8918 complex
Descriptor: 4'-phosphopantetheinyl transferase, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-03-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.759346 Å)
Cite:Opposing reactions in coenzyme A metabolism sensitizeMycobacterium tuberculosisto enzyme inhibition.
Science, 363, 2019
6CFI
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BU of 6cfi by Molmil
Crystal structure of Rad4-Rad23 bound to a 6-4 photoproduct UV lesion
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*(T64)P*TP*GP*GP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), DNA repair protein RAD4, DNA('-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*AP*AP*AP*GP*CP*TP*AP*CP*AP*A)-'), ...
Authors:Min, J, Jeffrey, P.D.
Deposit date:2018-02-15
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.36241913 Å)
Cite:Structure and mechanism of pyrimidine-pyrimidone (6-4) photoproduct recognition by the Rad4/XPC nucleotide excision repair complex.
Nucleic Acids Res., 47, 2019
7PT4
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BU of 7pt4 by Molmil
Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with a covalently bound reaction intermediate as well as products formyl-CoA and acetone
Descriptor: 2-hydroxyacyl-CoA lyase, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, ACETONE, ...
Authors:Zahn, M, Rohwerder, T.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
7PT1
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BU of 7pt1 by Molmil
Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with substrate 2-HIB-CoA and inactive cofactor 3-deaza-ThDP
Descriptor: 2-hydroxyacyl-CoA lyase, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zahn, M, Rohwerder, T.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
7PT3
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BU of 7pt3 by Molmil
Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493A structure in complex with substrate 2-HIB-CoA and inactive cofactor 3-deaza-ThDP
Descriptor: 2-hydroxyacyl-CoA lyase, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zahn, M, Rohwerder, T.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.625 Å)
Cite:Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
7PT2
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BU of 7pt2 by Molmil
Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493Q structure in complex with substrate 2-HIB-CoA and inactive cofactor 3-deaza-ThDP
Descriptor: 2-hydroxyacyl-CoA lyase, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zahn, M, Rohwerder, T.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
4RIA
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BU of 4ria by Molmil
FAN1 Nuclease bound to 5' phosphorylated nicked DNA
Descriptor: BARIUM ION, DNA (5'-D(*TP*TP*TP*TP*TP*TP*G*AP*GP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RID
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BU of 4rid by Molmil
Human FAN1 nuclease
Descriptor: Fanconi-associated nuclease 1
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RIC
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BU of 4ric by Molmil
FAN1 Nuclease bound to 5' hydroxyl (dT-dT) single flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*CP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RI9
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BU of 4ri9 by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dT)/3'(dT-dT-dT-dT-dT-dT-dT-dT) double flap DNA
Descriptor: BARIUM ION, DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*GP*AP*CP*TP*CP*CP*TP*CP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RIB
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BU of 4rib by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dT) single flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
4RI8
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BU of 4ri8 by Molmil
FAN1 Nuclease bound to 5' phosphorylated p(dG)/3'(dT-dT-dT-dT) double flap DNA
Descriptor: CALCIUM ION, DNA (5'-D(*AP*AP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*TP*GP*AP*GP*GP*AP*GP*TP*CP*TP*TP*T)-3'), ...
Authors:Pavletich, N.P, Wang, R.
Deposit date:2014-10-05
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
6O6T
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BU of 6o6t by Molmil
Crystal structure of Csm6 H132A mutant
Descriptor: Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O71
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BU of 6o71 by Molmil
Crystal structure of Csm6 in complex with cdA4 by soaking cdA4 into Csm6
Descriptor: Csm6, Cyclic DNA cdA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O6Y
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BU of 6o6y by Molmil
Crystal structure of Csm6 in complex with cyclic-tetraadenylates (cA4) by cocrystallization of Csm6 and cA4
Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019

 

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