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1ULW
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BU of 1ulw by Molmil
Crystal structure of P450nor Ser73Gly/Ser75Gly mutant
Descriptor: Cytochrome P450 55A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Su, F, Li, Z, Takaya, N, Shoun, H.
Deposit date:2003-09-16
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
5ZF2
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BU of 5zf2 by Molmil
Crystal structure of Trxlp from Edwardsiella tarda EIB202
Descriptor: SULFATE ION, Thioredoxin (H-type,TRX-H)
Authors:Yang, C, Quan, S.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Edwardsiella piscicida thioredoxin-like protein inhibits ASK1-MAPKs signaling cascades to promote pathogenesis during infection.
Plos Pathog., 15, 2019
7DTR
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BU of 7dtr by Molmil
Structure of an AcrIF protein
Descriptor: AcrIF24
Authors:Yue, F, Peipei, Y.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
Authors:Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
Deposit date:2011-04-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ODM
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BU of 3odm by Molmil
Archaeal-type phosphoenolpyruvate carboxylase
Descriptor: GOLD (I) CYANIDE ION, MALONATE ION, Phosphoenolpyruvate carboxylase
Authors:Dunten, P.W.
Deposit date:2010-08-11
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate.
Proteins, 79, 2011
4BAL
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BU of 4bal by Molmil
Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxymethyltriazoledipicolinate complex at 1.30 A resolution.
Descriptor: 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION, THAUMATIN-1
Authors:Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
Descriptor: Glycogen phosphorylase, muscle form, maslinic acid
Authors:Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
Deposit date:2007-07-17
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
7AT6
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BU of 7at6 by Molmil
Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane
Descriptor: L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ...
Authors:Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B.
Deposit date:2020-10-29
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
8API
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BU of 8api by Molmil
THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ...
Authors:Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
Deposit date:1988-09-08
Release date:1990-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
6ITM
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BU of 6itm by Molmil
Crystal structure of FXR in complex with agonist XJ034
Descriptor: 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1
Authors:Zhang, H, Wang, Z.
Deposit date:2018-11-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
3ID6
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BU of 3id6 by Molmil
Crystal structure of Sulfolobus solfataricus Nop5 (1-262) and fibrillarin complex
Descriptor: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, Pre mRNA splicing protein, S-ADENOSYLMETHIONINE
Authors:Ye, K.
Deposit date:2009-07-20
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural organization of box C/D RNA-guided RNA methyltransferase.
Proc.Natl.Acad.Sci.USA, 106, 2009
7WT9
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BU of 7wt9 by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab 9A8
Descriptor: Heavy chain of Fab 9A8, Light chain of Fab 9A8, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-02-04
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
7WT7
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BU of 7wt7 by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ...
Authors:Wang, X, Wang, L.
Deposit date:2022-02-04
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
7WT8
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BU of 7wt8 by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 9A8, ...
Authors:Wang, X, Wang, L.
Deposit date:2022-02-04
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
4PY7
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BU of 4py7 by Molmil
Crystal Structure of Fab 3.1
Descriptor: antibody 3.1 heavy chain, antibody 3.1 light chain
Authors:Dreyfus, C.
Deposit date:2014-03-26
Release date:2014-05-21
Last modified:2014-06-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
7FIV
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BU of 7fiv by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
Descriptor: CidA_I gamma/2 protein, CidB_I b/2 protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIW
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BU of 7fiw by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
Descriptor: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
6J11
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BU of 6j11 by Molmil
MERS-CoV spike N-terminal domain and 7D10 scFv 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, N-terminal domain of Spike glycoprotein, ...
Authors:Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X.
Deposit date:2018-12-27
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein.
Nat Commun, 10, 2019
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
Descriptor: bacteria factor 1
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022

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