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8EC1
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BU of 8ec1 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
4YB7
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BU of 4yb7 by Molmil
Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Mittelstaedt, G, Moggre, G.-J, Parker, E.J.
Deposit date:2015-02-18
Release date:2016-03-09
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail.
Protein Sci., 25, 2016
1G92
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BU of 1g92 by Molmil
SOLUTION STRUCTURE OF PONERATOXIN
Descriptor: PONERATOXIN
Authors:Szolajska, E, Poznanski, J, Ferber, M.L, Michalik, J, Gout, E, Fender, P, Bailly, I, Dublet, B, Chroboczek, J.
Deposit date:2000-11-22
Release date:2003-11-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Poneratoxin, a neurotoxin from ant venom. Structure and expression in insect cells and construction of a bio-insecticide.
Eur.J.Biochem., 271, 2004
6G9B
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BU of 6g9b by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with imipramine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ...
Authors:Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I.
Deposit date:2018-04-10
Release date:2018-05-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
6NM8
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BU of 6nm8 by Molmil
IgV-V76T BMS compound 105
Descriptor: N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1
Authors:Perry, E, Zhao, B, Fesik, S.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6Q0R
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BU of 6q0r by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39
Descriptor: 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6FPI
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BU of 6fpi by Molmil
Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Armstrong, F.A, Evans, R.M.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
8EDB
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BU of 8edb by Molmil
5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
Descriptor: 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
5K47
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BU of 5k47 by Molmil
CryoEM structure of the human Polycystin-2/PKD2 TRP channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2
Authors:Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-05-20
Release date:2016-08-24
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
7P84
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BU of 7p84 by Molmil
Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine)
Descriptor: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ...
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-21
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
6TMZ
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BU of 6tmz by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ...
Authors:Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
7P8M
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BU of 7p8m by Molmil
Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine)
Descriptor: 4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine, MAGNESIUM ION, S-adenosylmethionine synthase, ...
Authors:Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D.
Deposit date:2021-07-23
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases.
Chembiochem, 23, 2022
6PSR
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BU of 6psr by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1) with TraR and rpsT P2 promoter
Descriptor: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-07-13
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6TN2
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BU of 6tn2 by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ...
Authors:Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
7PD3
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BU of 7pd3 by Molmil
Structure of the human mitoribosomal large subunit in complex with NSUN4.MTERF4.GTPBP7 and MALSU1.L0R8F8.mt-ACP
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Chandrasekaran, V, Desai, N, Burton, N.O, Yang, H, Price, J, Miska, E.A, Ramakrishnan, V.
Deposit date:2021-08-04
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Visualizing formation of the active site in the mitochondrial ribosome.
Elife, 10, 2021
7PBJ
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BU of 7pbj by Molmil
Cryo-EM structure of the GroEL-GroES complex with ADP bound to both rings ("wide" conformation).
Descriptor: 10 kDa chaperonin, 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Pichkur, E.B, Stanishneva-Konovalova, T.B.
Deposit date:2021-08-02
Release date:2021-11-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Novel cryo-EM structure of an ADP-bound GroEL-GroES complex.
Sci Rep, 11, 2021
6PSW
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BU of 6psw by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPo) with TraR and rpsT P2 promoter
Descriptor: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-07-13
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6G4C
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BU of 6g4c by Molmil
Crystal structure of the omega transaminase from Pseudomonas jessenii in the apo form, crystallized from ammonium phosphate
Descriptor: Aspartate aminotransferase family protein, PHOSPHATE ION
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2018-03-27
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Biochemical properties of a Pseudomonas aminotransferase involved in caprolactam metabolism.
Febs J., 286, 2019
7PBX
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BU of 7pbx by Molmil
Cryo-EM structure of the GroEL-GroES complex with ADP bound to both rings ("tight" conformation).
Descriptor: 10 kDa chaperonin, 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Pichkur, E.B, Stanishneva-Konovalova, T.B.
Deposit date:2021-08-02
Release date:2021-11-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Novel cryo-EM structure of an ADP-bound GroEL-GroES complex.
Sci Rep, 11, 2021
5JPJ
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BU of 5jpj by Molmil
Crystal structure of 6aJL2-R24G
Descriptor: 6aJL2 protein
Authors:Pelaez-Aguilar, A.E, Diaz-Vilchis, A, Amero, C, Becerril, B, Rudino-Pinera, E.
Deposit date:2016-05-03
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 6aJL2-R24G light chain variable domain: Does crystal packing explain amyloid fibril formation?
Biochem Biophys Rep, 20, 2019
8E74
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BU of 8e74 by Molmil
Mycobacterium tuberculosis RNAP paused elongation complex with NusG transcription factor
Descriptor: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Delbeau, M, Darst, S.A, Campbell, E.A.
Deposit date:2022-08-23
Release date:2023-03-22
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
6NEN
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BU of 6nen by Molmil
Catalytic domain of Proteus mirabilis ScsC
Descriptor: Copper resistance protein
Authors:Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
Deposit date:2018-12-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
1YZ9
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BU of 1yz9 by Molmil
Crystal structure of RNase III mutant E110Q from Aquifex aeolicus complexed with double stranded RNA at 2.1-Angstrom Resolution
Descriptor: 5'-R(*CP*GP*AP*AP*CP*UP*UP*CP*GP*CP*G)-3', Ribonuclease III, SULFATE ION
Authors:Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X.
Deposit date:2005-02-28
Release date:2005-11-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intermediate states of ribonuclease III in complex with double-stranded RNA
Structure, 13, 2005
5KAC
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BU of 5kac by Molmil
Protein Tyrosine Phosphatase 1B P185G mutant, open state
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R.
Deposit date:2016-06-01
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
8E82
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BU of 8e82 by Molmil
Mycobacterium tuberculosis RNAP elongation complex with NusG transcription factor
Descriptor: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Delbeau, M, Darst, S.A, Campbell, E.A.
Deposit date:2022-08-25
Release date:2023-03-22
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023

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数据于2024-07-17公开中

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