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8BR9
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BU of 8br9 by Molmil
Stapled peptide SP24 in complex with humanised RadA mutant HumRadA22
Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-11-22
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
4Z4E
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BU of 4z4e by Molmil
Human Argonaute2 Bound to t1-U Target RNA
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, PHENOL, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
4Z4G
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BU of 4z4g by Molmil
Human Argonaute2 Bound to t1-Inosine Target RNA
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
7D98
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BU of 7d98 by Molmil
Crystal structure of full-length CbnR complexed with the target DNA complex
Descriptor: DNA (56-mer), LysR-type regulatory protein
Authors:Senda, M, Giannopoulou, E, Senda, T.
Deposit date:2020-10-12
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of the full-length LysR-type transcription regulator CbnR in complex with promoter DNA.
Febs J., 288, 2021
6QB8
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BU of 6qb8 by Molmil
Human CCT:mLST8 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M.
Deposit date:2018-12-20
Release date:2019-07-03
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly.
Nat Commun, 10, 2019
3K1F
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BU of 3k1f by Molmil
Crystal structure of RNA Polymerase II in complex with TFIIB
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Kostrewa, D, Zeller, M.E, Armache, K.-J, Seizl, M, Leike, K, Thomm, M, Cramer, P.
Deposit date:2009-09-27
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:RNA polymerase II-TFIIB structure and mechanism of transcription initiation.
Nature, 462, 2009
4Z4H
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BU of 4z4h by Molmil
Human Argonaute2 A481T Mutant Bound to t1-A Target RNA
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
5Y7L
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BU of 5y7l by Molmil
Solution structure of Hbeta4 extracellular loop of BK potassium channel
Descriptor: Calcium-activated potassium channel subunit beta-4
Authors:Wang, Y, Lan, W, Ding, J, Cao, C.
Deposit date:2017-08-17
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of extracellular loop of human beta 4 subunit of BK channel and its biological implication on ChTX sensitivity.
Sci Rep, 8, 2018
8A1Z
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BU of 8a1z by Molmil
Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with 1-(2,4-dichlorophenyl)-3-hydroxyurea
Descriptor: 1-(2,4-dichlorophenyl)-3-oxidanyl-urea, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Haufroid, M, Wouters, J.
Deposit date:2022-06-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach.
Eur.J.Med.Chem., 245, 2022
6R0Z
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BU of 6r0z by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 1L
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
6R0Y
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BU of 6r0y by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
6QZP
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BU of 6qzp by Molmil
High-resolution cryo-EM structure of the human 80S ribosome
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S rRNA (1740-MER), 28S rRNA (3773-MER), ...
Authors:Natchiar, S.K, Myasnikov, A.G, Kratzat, H, Hazemann, I, Klaholz, B.P.
Deposit date:2019-03-12
Release date:2019-04-24
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualization of chemical modifications in the human 80S ribosome structure.
Nature, 551, 2017
4Z4I
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BU of 4z4i by Molmil
Human Argonaute2 A481T Mutant Bound to t1-G Target RNA
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
6R10
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BU of 6r10 by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 1R
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
8BTY
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BU of 8bty by Molmil
Structure of the active form of ScpB, the C5a-peptidase from Streptococcus agalactiae.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, Cooney, J.C, Miclot, T, Cullen, R.
Deposit date:2022-11-30
Release date:2023-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 angstrom crystal structure of the C5a peptidase from Streptococcus agalactiae (ScpB) reveals an active site competent for catalysis.
Proteins, 92, 2024
3CP4
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BU of 3cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
Descriptor: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
5WUD
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BU of 5wud by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: MAGNESIUM ION, Uncharacterized protein
Authors:Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
4IAD
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BU of 4iad by Molmil
Low temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IAZ
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BU of 4iaz by Molmil
Structure of cAMP dependent protein kinase A in complex with high Ba2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BARIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
6S03
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BU of 6s03 by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379
Descriptor: 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kugler, M, Brynda, J, Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
8BP0
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BU of 8bp0 by Molmil
Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8BP1
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BU of 8bp1 by Molmil
Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction
Descriptor: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ...
Authors:Hardy, F.J.
Deposit date:2022-11-15
Release date:2024-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
5WLC
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BU of 5wlc by Molmil
The complete structure of the small subunit processome
Descriptor: 18S pre-rRNA, 5' ETS, Bms1, ...
Authors:Barandun, J, Chaker-Margot, M, Hunziker, M, Klinge, S.
Deposit date:2017-07-26
Release date:2017-09-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The complete structure of the small-subunit processome.
Nat. Struct. Mol. Biol., 24, 2017
5WM8
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BU of 5wm8 by Molmil
Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017

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