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6IWG
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BU of 6iwg by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with N-myristoylated 4-mer lipopeptide derived from SIV nef protein
Descriptor: 1,2-ETHANEDIOL, BORIC ACID, Beta-2-microglobulin, ...
Authors:Yamamoto, Y, Morita, D, Sugita, M.
Deposit date:2018-12-05
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
5AND
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BU of 5and by Molmil
Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
7L8A
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BU of 7l8a by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-1 from animal Rh.33104 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Torrents de la Pena, A, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8T
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BU of 7l8t by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-1 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
4RRV
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BU of 4rrv by Molmil
Crystal structure of PDK1 in complex with ATP and PIFtide
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-06
Release date:2014-12-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O8Y
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BU of 4o8y by Molmil
Zinc-free Rpn11 in complex with Rpn8
Descriptor: 1,2-ETHANEDIOL, 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8
Authors:Worden, E.J, Padovani, C, Martin, A.
Deposit date:2013-12-30
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the Rpn11-Rpn8 dimer reveals mechanisms of substrate deubiquitination during proteasomal degradation.
Nat.Struct.Mol.Biol., 21, 2014
2BK9
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BU of 2bk9 by Molmil
Drosophila Melanogaster globin
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CG9734-PA, CHLORIDE ION, ...
Authors:de Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Ponassi, M, Nardini, M, Bolognesi, M.
Deposit date:2005-02-14
Release date:2005-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Bishistidyl Heme Hexacoordination, a Key Structural Property in Drosophila Melanogaster Hemoglobin
J.Biol.Chem., 280, 2005
4RSS
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BU of 4rss by Molmil
Crystal structure of tyrosine-protein kinase SYK with an inhibitor
Descriptor: 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, B.I, Lee, S.J, Choi, J.-S.
Deposit date:2014-11-11
Release date:2015-10-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5ANU
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BU of 5anu by Molmil
MTH1 in complex with compound 15
Descriptor: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
1OH4
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BU of 1oh4 by Molmil
Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module
Descriptor: BETA-MANNOSIDASE, CALCIUM ION, GLYCEROL, ...
Authors:Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J.
Deposit date:2003-05-21
Release date:2004-03-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Structure, 11, 2003
6DLY
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BU of 6dly by Molmil
Crystal structure of DNA polymerase III subunit beta from Mycobacterium marinum in complex with a natural product
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, Natural product peptide
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-04
Release date:2019-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of DNA polymerase III subunit beta from Mycobacterium marinum in complex with a natural product
to be published
5H62
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BU of 5h62 by Molmil
Structure of Transferase mutant-C23S,C199S
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, Transferase, ...
Authors:Park, J.B, Yoo, Y, Kim, J.
Deposit date:2016-11-10
Release date:2017-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
1CL7
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BU of 1cl7 by Molmil
ANTI HIV1 PROTEASE FAB
Descriptor: PROTEIN (IGG1 ANTIBODY 1696 (constant heavy chain)), PROTEIN (IGG1 ANTIBODY 1696 (light chain)), PROTEIN (IGG1 ANTIBODY 1696 (variable heavy chain))
Authors:Lescar, J, Bentley, G.A.
Deposit date:1999-05-06
Release date:2000-01-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the HIV-1 and HIV-2 proteases by a monoclonal antibody.
Protein Sci., 8, 1999
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
Descriptor: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
Authors:Chen, H, Zhang, X, Lum, l, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
9GIU
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BU of 9giu by Molmil
Cryo-EM structure of human SLC45A4 in detergent
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Solute carrier family 45 member 4
Authors:Markusson, S, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2024-08-19
Release date:2025-07-30
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:SLC45A4 is a pain gene encoding a neuronal polyamine transporter.
Nature, 646, 2025
5BWM
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BU of 5bwm by Molmil
The complex structure of C3cer exoenzyme and GDP bound RhoA (NADH-bound state)
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADP-ribosyltransferase, ...
Authors:Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2015-06-08
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015
4ZSK
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BU of 4zsk by Molmil
Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with N-acetylglucosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ...
Authors:Fillenberg, S.B, Muller, Y.A.
Deposit date:2015-05-13
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
4RW5
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BU of 4rw5 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
Descriptor: GLYCEROL, MAGNESIUM ION, N-TRIDECANOIC ACID, ...
Authors:Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
Deposit date:2014-12-01
Release date:2015-06-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
2YFS
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BU of 2yfs by Molmil
Crystal structure of inulosucrase from Lactobacillus johnsonii NCC533 in complex with sucrose
Descriptor: CALCIUM ION, LEVANSUCRASE, SULFATE ION, ...
Authors:Pijning, T, Anwar, M.A, Leemhuis, H, Kralj, S, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2011-04-07
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
J.Mol.Biol., 412, 2011
5TQG
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BU of 5tqg by Molmil
Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
Descriptor: (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2016-10-24
Release date:2017-02-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
5HAD
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BU of 5had by Molmil
Crystal structure of intermembrane space region of chloroplast protein ARC6
Descriptor: 1,2-ETHANEDIOL, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Yu, X.
Deposit date:2015-12-30
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
5C27
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BU of 5c27 by Molmil
Crystal structure of SYK in complex with compound 2
Descriptor: 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-N-[4-(methylcarbamoyl)phenyl]benzamide, GLU-VAL-TYR-GLU-SER, GLYCEROL, ...
Authors:Han, S, Chang, J.
Deposit date:2015-06-15
Release date:2015-10-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
5C2C
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BU of 5c2c by Molmil
GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (unliganded form)
Descriptor: CHLORIDE ION, Form II RubisCO, MAGNESIUM ION
Authors:Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R.
Deposit date:2015-06-15
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria.
Environ.Microbiol., 18, 2016
6MRF
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BU of 6mrf by Molmil
Crystal structure of a Methionine aminopeptidase MetAP from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, Methionine aminopeptidase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-12
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a Methionine aminopeptidase MetAP from Acinetobacter baumannii
To Be Published
4POR
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BU of 4por by Molmil
Structure of Human Polyomavirus 9 VP1 pentamer in complex with 3'-sialyllactose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Khan, Z.M, Stehle, T.
Deposit date:2014-02-26
Release date:2014-04-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014

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