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8Z70
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BU of 8z70 by Molmil
State 1 (S1) of yeast 80S ribosome bound to 2 tRNAs during mRNA decoding
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-04-19
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
3GVG
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BU of 3gvg by Molmil
Crystal structure of Triosephosphate isomerase from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Triosephosphate isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
7H20
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BU of 7h20 by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899
Descriptor: 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
3GWC
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BU of 3gwc by Molmil
Crystal structure of Mycobacterium tuberculosis thymidylate synthase X bound to FdUMP and FAD
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5LJ3
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BU of 5lj3 by Molmil
Structure of the core of the yeast spliceosome immediately after branching
Descriptor: CEF1, CLF1, CWC15, ...
Authors:Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K.
Deposit date:2016-07-17
Release date:2016-08-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
4EOX
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BU of 4eox by Molmil
X-ray Structure of Polypeptide Deformylase Bound to a Acylprolinamide inhibitor
Descriptor: N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide, NICKEL (II) ION, Peptide deformylase
Authors:Ward, P, Campobasso, N.
Deposit date:2012-04-16
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Acylprolinamides: a new class of peptide deformylase inhibitors with in vivo antibacterial activity.
Bioorg.Med.Chem.Lett., 22, 2012
8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
Descriptor: 5-[[(3S)-1-(2-chlorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-2-methyl-benzamide, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-05-30
Release date:2022-07-13
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
4EP4
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BU of 4ep4 by Molmil
Thermus thermophilus RuvC structure
Descriptor: Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, MAGNESIUM ION
Authors:Chen, L, Shi, K, Yin, Z.Q, Aihara, H.
Deposit date:2012-04-17
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
7CP0
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BU of 7cp0 by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-08-05
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
3OVS
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BU of 3ovs by Molmil
How the CCA-adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CCA-Adding Enzyme, ...
Authors:Pan, B.C, Xiong, Y, Steitz, T.A.
Deposit date:2010-09-17
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA.
Science, 330, 2010
6PCH
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BU of 6pch by Molmil
E. coli 50S ribosome bound to compound 21
Descriptor: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-17
Release date:2020-06-17
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
9CT8
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BU of 9ct8 by Molmil
Tricomplex of Compound 2, KRAS G12D, and CypA
Descriptor: (2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name), CHLORIDE ION, Isoform 2B of GTPase KRas, ...
Authors:Zhang, D, Bar Ziv, T, Knox, J.E, Yano, J.K.
Deposit date:2024-07-24
Release date:2025-07-23
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A neomorphic protein interface catalyzes covalent inhibition of RAS G12D aspartic acid in tumors.
Science, 389, 2025
9CTA
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BU of 9cta by Molmil
Tricomplex of RMC-9945, KRAS G12D, and CypA
Descriptor: (2R)-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name), Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Zhang, D, Saldajeno-Concar, M, Tomlinson, A.C.A, Yano, J.K, Knox, J.E.
Deposit date:2024-07-24
Release date:2025-07-23
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A neomorphic protein interface catalyzes covalent inhibition of RAS G12D aspartic acid in tumors.
Science, 389, 2025
7COV
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BU of 7cov by Molmil
Potato D-enzyme, native (substrate free)
Descriptor: 4-alpha-glucanotransferase, chloroplastic/amyloplastic, CALCIUM ION, ...
Authors:Unno, H, Imamura, K.
Deposit date:2020-08-05
Release date:2020-08-26
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
4EIU
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BU of 4eiu by Molmil
Crystal structure of a DUF3823 family protein (BACUNI_03093) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, uncharacterized hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-04-05
Release date:2012-05-30
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a hypothetical protein (BACUNI_03093) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
To be published
3H10
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BU of 3h10 by Molmil
Aurora A inhibitor complex
Descriptor: 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
9JH3
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BU of 9jh3 by Molmil
CMF-019 with APLNR-Gi complex
Descriptor: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tian, X.W, Zhao, C, Feng, Y.Y, Shao, Z.H.
Deposit date:2024-09-08
Release date:2025-04-23
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Multiscale biased chemical space remodeling for developing APLNR agonists with anti-HFpEF efficacy.
Proc.Natl.Acad.Sci.USA, 122, 2025
4IC9
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BU of 4ic9 by Molmil
Crystal structure of the full-length matrix subunit (p15) of the Feline Immunodeficiency Virus (FIV) Gag polyprotein
Descriptor: 1,2-ETHANEDIOL, Matrix protein p15
Authors:Serriere, J, Robert, X, Perez, M, Gouet, P, Guillon, C.
Deposit date:2012-12-10
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical characterization and crystal structure of the Feline Immunodeficiency Virus p15 matrix protein.
Retrovirology, 10, 2013
7L9L
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BU of 7l9l by Molmil
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to BI2536
Descriptor: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3
Authors:Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
Deposit date:2021-01-04
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
7X1O
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BU of 7x1o by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with double inhibitors HF and L95
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Manickam, Y, Babbar, P, Sharma, A.
Deposit date:2022-02-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
7TZ2
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BU of 7tz2 by Molmil
Structure of human Fibrinogen-like protein 1
Descriptor: CALCIUM ION, Fibrinogen-like protein 1
Authors:Ming, Q, Tran, T.H, Luca, V.C.
Deposit date:2022-02-15
Release date:2022-05-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
4BMX
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BU of 4bmx by Molmil
Native structure of futalosine hydrolase of Helicobacter pylori strain 26695
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE
Authors:Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J.
Deposit date:2013-05-12
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-03-15
Release date:2017-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.368 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
to be published
7X3P
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BU of 7x3p by Molmil
Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
Descriptor: 5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Li, G.-B, Deng, J.
Deposit date:2022-03-01
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
To Be Published

244693

數據於2025-11-12公開中

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