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PDB: 53526 results

6PFB
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BU of 6pfb by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid.
Descriptor: 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.089 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
4QQV
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BU of 4qqv by Molmil
Extracellular domains of mouse IL-3 beta receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-3 receptor class 2 subunit beta
Authors:Jackson, C.J, Young, I.G, Murphy, J.M, Carr, P.D, Ewens, C.L, Dai, J, Ollis, D.L.
Deposit date:2014-06-30
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structure of the mouse interleukin-3 beta-receptor: insights into interleukin-3 binding and receptor activation.
Biochem.J., 463, 2014
6XP5
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BU of 6xp5 by Molmil
Head-Middle module of Mediator
Descriptor: HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Zhang, H.Q, Chen, D.C, Kornberg, R.D.
Deposit date:2020-07-08
Release date:2021-03-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mediator structure and conformation change.
Mol.Cell, 81, 2021
7MSF
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BU of 7msf by Molmil
MS2 PROTEIN CAPSID/RNA COMPLEX
Descriptor: 5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID
Authors:Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V.
Deposit date:1998-05-20
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
6PHT
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BU of 6pht by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid
Descriptor: Acetylpolyamine amidohydrolase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-25
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6P1N
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BU of 6p1n by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1S
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BU of 6p1s by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated AMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6VHA
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BU of 6vha by Molmil
Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue
Descriptor: Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-09
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
8DMM
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BU of 8dmm by Molmil
Structure of the vanadate-trapped MsbA bound to KDL
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA
Authors:Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M.
Deposit date:2022-07-08
Release date:2022-12-14
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
7P81
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BU of 7p81 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state)
Descriptor: ADEP2, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
Deposit date:2021-07-21
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
7MJS
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BU of 7mjs by Molmil
Single-Particle Cryo-EM Structure of Major Facilitator Superfamily Domain containing 2A in complex with LPC-18:3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2AG3 Fab heavy chain, 2AG3 Fab light chain, ...
Authors:Cater, R.J, Chua, G.L, Erramilli, S.K, Keener, J.E, Choy, B.C, Tokarz, P, Chin, C.F, Quek, D.Q.Y, Kloss, B, Pepe, J.G, Parisi, G, Wong, B.H, Clarke, O.B, Marty, M.T, Kossiakoff, A.A, Khelashvili, G, Silver, D.L, Mancia, F.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Nature, 595, 2021
6PFA
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BU of 6pfa by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid.
Descriptor: 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
8V2F
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BU of 8v2f by Molmil
Crystal structure of IRAK4 kinase domain with compound 9
Descriptor: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-22
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
4RAV
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BU of 4rav by Molmil
Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin
Descriptor: Huntingtin, SULFATE ION, Single-chain Fv, ...
Authors:De Genst, E, Chirgadze, D.Y, Dobson, C.M.
Deposit date:2014-09-11
Release date:2015-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression.
J.Mol.Biol., 427, 2015
6PFI
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BU of 6pfi by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid.
Descriptor: 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
4RCA
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BU of 4rca by Molmil
Crystal structure of human PTPdelta and human Slitrk1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase delta, SLIT and NTRK-like protein 1, ...
Authors:Kim, H.M, Park, B.S, Kim, D, Lee, S.G.
Deposit date:2014-09-15
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9908 Å)
Cite:Structural basis for LAR-RPTP/Slitrk complex-mediated synaptic adhesion.
Nat Commun, 5, 2014
5LPR
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BU of 5lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
7A0N
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BU of 7a0n by Molmil
Structure of TSC1 NTD and linker domain
Descriptor: Uncharacterized protein,Uncharacterized protein
Authors:Fitzian, K, Kuemmel, D.
Deposit date:2020-08-10
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation.
Mol.Cell, 81, 2021
7P0W
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BU of 7p0w by Molmil
Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing thymine opposite to lesion)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ...
Authors:Coste, F, Goffinont, S, Flament, D, Castaing, B.
Deposit date:2021-06-30
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
8V2L
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BU of 8v2l by Molmil
Crystal structure of IRAK4 kinase domain with compound 8
Descriptor: 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-22
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
8UWC
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BU of 8uwc by Molmil
Site-one protease without SPRING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound transcription factor site-1 protease
Authors:Kober, D.L.
Deposit date:2023-11-06
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:SPRING licenses S1P-mediated cleavage of SREBP2 by displacing an inhibitory pro-domain.
Nat Commun, 15, 2024
6PFE
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BU of 6pfe by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.812 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6P1P
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BU of 6p1p by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1V
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BU of 6p1v by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
5MA8
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BU of 5ma8 by Molmil
GFP-binding DARPin 3G124nc
Descriptor: GA-binding protein subunit beta-1, Green fluorescent protein
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017

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