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7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1908 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7M2X
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BU of 7m2x by Molmil
Open conformation of the Yeast wild-type gamma-TuRC
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7MM1
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BU of 7mm1 by Molmil
PTP1B in complex with TCS401 by Native S-SAD at Room Temperature
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-04-29
Release date:2021-05-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
7M2Z
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BU of 7m2z by Molmil
Monomeric single-particle reconstruction of the Yeast gamma-TuSC
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component SPC97, Spindle pole body component SPC98, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
6QXP
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BU of 6qxp by Molmil
Protein peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat extensin-like protein 2, ...
Authors:Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
2G4L
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BU of 2g4l by Molmil
Anomalous substructure of hydroxynitrile lyase
Descriptor: (S)-acetone-cyanohydrin lyase, CHLORIDE ION, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
5LA7
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BU of 5la7 by Molmil
Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5KWF
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BU of 5kwf by Molmil
Joint X-ray Neutron Structure of Cholesterol Oxidase
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Golden, E, Vrielink, A, Meilleur, F, Blakeley, M.
Deposit date:2016-07-18
Release date:2017-02-01
Last modified:2024-03-06
Method:NEUTRON DIFFRACTION (1.499 Å), X-RAY DIFFRACTION
Cite:An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase.
Sci Rep, 7, 2017
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
Descriptor: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
Authors:Li, Y, Chen, G, Li, H.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
4V8C
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BU of 4v8c by Molmil
Crystal structure analysis of ribosomal decoding (near-cognate tRNA-leu complex with paromomycin).
Descriptor: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Jenner, L, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2011-12-07
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
4V87
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BU of 4v87 by Molmil
Crystal structure analysis of ribosomal decoding.
Descriptor: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Demeshkina, N, Jenner, L, Yusupov, M, Yusupova, G.
Deposit date:2011-09-20
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
4V8I
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BU of 4v8i by Molmil
Crystal structure of YfiA bound to the 70S ribosome.
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Blaha, G.M, Steitz, T.A.
Deposit date:2011-12-12
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:How hibernation factors RMF, HPF, and YfiA turn off protein synthesis.
Science, 336, 2012
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
Descriptor: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
Authors:Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
8RU1
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BU of 8ru1 by Molmil
Chromatin remodeling regulator CECR2 with in crystallo disulfide bond
Descriptor: Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-01-29
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
8RYS
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BU of 8rys by Molmil
Human IL-1beta, unliganded
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-03-06
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
2FPW
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BU of 2fpw by Molmil
Crystal Structure of the N-terminal Domain of E.coli HisB- Phosphoaspartate intermediate.
Descriptor: CALCIUM ION, Histidine biosynthesis bifunctional protein hisB, ZINC ION
Authors:Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-17
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
J.Biol.Chem., 281, 2006
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
Descriptor: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
8RC0
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BU of 8rc0 by Molmil
Structure of the human 20S U5 snRNP
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schneider, S, Galej, W.P.
Deposit date:2023-12-05
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
5D8P
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BU of 5d8p by Molmil
2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
8RWU
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BU of 8rwu by Molmil
ACDC domain of the AP2-I transcription factor from Plasmodium vivax
Descriptor: AP2 domain transcription factor AP2-I, putative
Authors:Nessler, S, Le Berre, M, Gallay Li de la Sierra, I.
Deposit date:2024-02-05
Release date:2024-03-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.152 Å)
Cite:Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
2FQZ
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BU of 2fqz by Molmil
Metal-depleted Ecl18kI in complex with uncleaved DNA
Descriptor: DNA STRAND 1, DNA STRAND 2, R.Ecl18kI
Authors:Bochtler, M, Szczepanowski, R.H, Tamulaitis, G, Grazulis, S, Czapinska, H, Manakova, E, Siksnys, V.
Deposit date:2006-01-18
Release date:2006-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease
Embo J., 25, 2006
5D9D
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BU of 5d9d by Molmil
Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
Authors:Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
2G76
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BU of 2g76 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase
Descriptor: D-3-phosphoglycerate dehydrogenase, D-MALATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Turnbull, A.P, Salah, E, Savitsky, P, Gileadi, O, von Delft, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-02-27
Release date:2006-03-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase
To be Published
8RHN
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BU of 8rhn by Molmil
Structure of the 55LCC ATPase complex
Descriptor: ATPase family gene 2 protein homolog A, ATPase family gene 2 protein homolog B, Cyclin-dependent kinase 2-interacting protein, ...
Authors:Foglizzo, M, Degtjarik, O, Zeqiraj, E.
Deposit date:2023-12-15
Release date:2024-03-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024

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PDB entries from 2024-07-10

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