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6RBI
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BU of 6rbi by Molmil
Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
Descriptor: 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ...
Authors:Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
2RNY
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BU of 2rny by Molmil
Complex Structures of CBP Bromodomain with H4 ack20 Peptide
Descriptor: CREB-binding protein, Histone H4
Authors:Zeng, L, Zhang, Q, Gerona-Navarro, G, Zhou, M.M.
Deposit date:2008-02-03
Release date:2008-05-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural Basis of Site-Specific Histone Recognition by the Bromodomains of Human Coactivators PCAF and CBP/p300
Structure, 16, 2008
5HWZ
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BU of 5hwz by Molmil
Crystal structure of nitrophorin 4 D30N mutant with nitrite
Descriptor: NITRITE ION, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ogata, H, He, C, Lubitz, W.
Deposit date:2016-01-29
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Elucidation of the heme active site electronic structure affecting the unprecedented nitrite dismutase activity of the ferrihemebproteins, the nitrophorins.
Chem Sci, 7, 2016
6RCF
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BU of 6rcf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
Descriptor: 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HWO
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BU of 5hwo by Molmil
MvaS in complex with 3-hydroxy-3-methylglutaryl coenzyme A
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
Authors:Bock, T, Kasten, J, Blankenfeldt, W.
Deposit date:2016-01-29
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
3QUM
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BU of 3qum by Molmil
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
Descriptor: Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ...
Authors:Stura, E.A, Muller, B.H, Michel, S, Ducancel, F.
Deposit date:2011-02-24
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of human prostate-specific antigen in a sandwich antibody complex.
J.Mol.Biol., 414, 2011
8PYI
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BU of 8pyi by Molmil
Human IGF1R with inhibitor 6
Descriptor: 3-[8-azanyl-1-(4-ethoxy-8-fluoranyl-2-phenyl-quinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methyl-cyclobutan-1-ol, Insulin-like growth factor 1 receptor beta chain
Authors:Dreyer, M.K, Wang, J, Elkins, J.M.
Deposit date:2023-07-25
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Human IGF1R with inhibitor 6
To Be Published
6RCJ
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BU of 6rcj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
Descriptor: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HQI
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BU of 5hqi by Molmil
Insulin with proline analog HzP at position B28 in the T2 state
Descriptor: Insulin A-Chain, Insulin B-Chain
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
6R83
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BU of 6r83 by Molmil
CryoEM structure and molecular model of squid hemocyanin (Todarodes pacificus , TpH)
Descriptor: Hemocyanin subunit 1
Authors:Tanaka, Y, Kato, S, Stabrin, M, Raunser, S, Matsui, T, Gatsogiannis, C.
Deposit date:2019-03-31
Release date:2019-05-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Cryo-EM reveals the asymmetric assembly of squid hemocyanin.
Iucrj, 6, 2019
2RQ6
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BU of 2rq6 by Molmil
Solution structure of the epsilon subunit of the F1-atpase from thermosynechococcus elongatus BP-1
Descriptor: ATP synthase epsilon chain
Authors:Yagi, H, Konno, H, Murakami-Fuse, T, Oroguchi, H, Akutsu, T, Ikeguchi, M, Hisabori, T.
Deposit date:2009-03-03
Release date:2010-01-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and functional analysis of the intrinsic inhibitor subunit epsilon of F1-ATPase from photosynthetic organisms.
Biochem.J., 425, 2010
5HVI
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BU of 5hvi by Molmil
Crystal structure of TEM1 beta-lactamase
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
2SBT
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BU of 2sbt by Molmil
A COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SUBTILISIN BPN AND SUBTILISIN NOVO
Descriptor: ACETONE, SUBTILISIN NOVO
Authors:Drenth, J, Hol, W.G.J, Jansonius, J.N, Koekoek, R.
Deposit date:1976-09-07
Release date:1976-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A comparison of the three-dimensional structures of subtilisin BPN' and subtilisin novo.
Cold Spring Harbor Symp.Quant.Biol., 36, 1972
2ST1
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BU of 2st1 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-05-11
Release date:1991-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
5HW1
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BU of 5hw1 by Molmil
Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-01-28
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
8PPL
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BU of 8ppl by Molmil
MERS-CoV Nsp1 bound to the human 43S pre-initiation complex
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N.
Deposit date:2023-07-07
Release date:2023-10-18
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
3RUT
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BU of 3rut by Molmil
FXR with SRC1 and GSK359
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RV2
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BU of 3rv2 by Molmil
Crystal structure of S-adenosylmethionine synthetase from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-05
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6R3U
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BU of 6r3u by Molmil
Endo-levanase BT1760 mutant E221A from Bacteroides thetaiotaomicron complexed with levantetraose
Descriptor: GLYCEROL, Glycoside hydrolase family 32, ZINC ION, ...
Authors:Eek, P, Ernits, K, Lukk, T, Alamae, T.
Deposit date:2019-03-21
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:First crystal structure of an endo-levanase - the BT1760 from a human gut commensal Bacteroides thetaiotaomicron.
Sci Rep, 9, 2019
2SNI
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BU of 2sni by Molmil
STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO
Descriptor: CALCIUM ION, CHYMOTRYPSIN INHIBITOR 2, SUBTILISIN NOVO
Authors:Mcphalen, C.A, James, M.N.G.
Deposit date:1988-09-05
Release date:1988-09-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural comparison of two serine proteinase-protein inhibitor complexes: eglin-c-subtilisin Carlsberg and CI-2-subtilisin Novo.
Biochemistry, 27, 1988
3S1K
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BU of 3s1k by Molmil
The Development of Peptide-based Tools for the Analysis of Angiogenesis
Descriptor: Vascular endothelial growth factor A, Z-domain
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-05-15
Release date:2011-08-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011
2SXL
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BU of 2sxl by Molmil
SEX-LETHAL RBD1, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: SEX-LETHAL PROTEIN
Authors:Inoue, M, Muto, Y, Sakamoto, H, Kigawa, T, Takio, K, Shimura, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:1997-07-16
Release date:1998-07-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A characteristic arrangement of aromatic amino acid residues in the solution structure of the amino-terminal RNA-binding domain of Drosophila sex-lethal.
J.Mol.Biol., 272, 1997
5HZX
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BU of 5hzx by Molmil
Crystal structure of zebrafish MTH1 in complex with TH588
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P.
Deposit date:2016-02-03
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition.
Cancer Res., 76, 2016
6RAZ
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BU of 6raz by Molmil
D. melanogaster CMG-DNA, State 2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ...
Authors:Eickhoff, P, Martino, F, Costa, A.
Deposit date:2019-04-08
Release date:2019-09-18
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.46 Å)
Cite:Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
6R7N
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BU of 6r7n by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Faull, S.V, Lau, A.M.C, Martens, C, Ahdash, Z, Yebenes, H, Schmidt, C, Beuron, F, Cronin, N.B, Morris, E.P, Politis, A.
Deposit date:2019-03-29
Release date:2019-08-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019

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