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7DUN
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BU of 7dun by Molmil
Crystal structure of Fab fragment of Daratumumab
Descriptor: Fab heavy chain, Fab light chain
Authors:Yu, X.J, Wang, L, Yu, C.F.
Deposit date:2021-01-10
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.607 Å)
Cite:Crystal structure of Fab fragment of Daratumumab
To Be Published
2YFN
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BU of 2yfn by Molmil
galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK
Descriptor: 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ...
Authors:Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T.
Deposit date:2011-04-07
Release date:2011-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
7L6F
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BU of 7l6f by Molmil
The empty AAV11 capsid
Descriptor: Capsid protein
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features.
Viruses, 13, 2021
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
2YQ6
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BU of 2yq6 by Molmil
Structure of Bcl-xL bound to BimSAHB
Descriptor: BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL
Authors:Smith, B.J, Czabotar, P.E.
Deposit date:2012-11-06
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
7E36
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BU of 7e36 by Molmil
A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkanesulfonate monooxygenase SsuD/methylene tetrahydromethanopterin reductase-like flavin-dependent oxidoreductase (Luciferase family), ...
Authors:Zhang, B, Ge, H.M.
Deposit date:2021-02-08
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis.
Nat Commun, 12, 2021
2YGH
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BU of 2ygh by Molmil
SAM-I riboswitch with a G2nA mutation in the Kink turn in complex with S-adenosylmethionine
Descriptor: POTASSIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ...
Authors:Schroeder, K, Daldrop, P, Lilley, D.
Deposit date:2011-04-17
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn.
Structure, 19, 2011
5MUE
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BU of 5mue by Molmil
Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier
Descriptor: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, Alpha-tocopherol transfer protein, CHLORIDE ION, ...
Authors:Stocker, A, Aeschimann, W.
Deposit date:2017-01-13
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Self-assembled alpha-Tocopherol Transfer Protein Nanoparticles Promote Vitamin E Delivery Across an Endothelial Barrier.
Sci Rep, 7, 2017
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
2OKN
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BU of 2okn by Molmil
Crystal Strcture of Human Prolidase
Descriptor: HYDROGENPHOSPHATE ION, MANGANESE (II) ION, Xaa-Pro dipeptidase
Authors:Mueller, U, Niesen, F.H, Roske, Y, Goetz, F, Behlke, J, Buessow, K, Heinemann, U, Protein Structure Factory (PSF)
Deposit date:2007-01-17
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Prolidase: The Molecular Basis of PD Disease.
To be Published
2YPD
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BU of 2ypd by Molmil
Crystal structure of the Jumonji domain of human Jumonji domain containing 1C protein
Descriptor: 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, PROBABLE JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT EIN 2C, SODIUM ION
Authors:Vollmar, M, Johansson, C, Krojer, T, Berridge, G, Burgess-Brown, N, Strain-Damerell, C, Froese, S, Williams, E, Goubin, S, Coutandin, D, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2012-10-30
Release date:2012-12-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Jumonji Domain of Human Jumonji Domain Containing 1C Protein
To be Published
3HDS
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BU of 3hds by Molmil
Crystal structure of 4-methylmuconolactone methylisomerase in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methylmuconolactone methylisomerase, short peptide ASWSA
Authors:Marin, M, Heinz, D.W, Pieper, D.H, Klink, B.U.
Deposit date:2009-05-07
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure and catalytic mechanism of 4-methylmuconolactone methylisomerase
J.Biol.Chem., 284, 2009
2YQ1
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BU of 2yq1 by Molmil
MHV-68 LANA (ORF73) C-terminal domain: triclinic crystal form
Descriptor: ORF73
Authors:Hellert, J, Krausze, J, Luhrs, T.
Deposit date:2012-11-02
Release date:2013-11-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Structural Basis for Brd2/4-Mediated Host Chromatin Interaction and Oligomer Assembly of Kaposi Sarcoma-Associated Herpesvirus and Murine Gammaherpesvirus Lana Proteins.
Plos Pathog., 9, 2013
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
2JRZ
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BU of 2jrz by Molmil
Solution structure of the Bright/ARID domain from the human JARID1C protein.
Descriptor: Histone demethylase JARID1C
Authors:Koehler, C, Bishop, S, Dowler, E.F, Diehl, A, Schmieder, P, Leidert, M, Sundstrom, M, Arrowsmith, C.H, Wiegelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
Deposit date:2007-06-29
Release date:2007-07-10
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Backbone and sidechain 1H, 13C and 15N resonance assignments of the Bright/ARID domain from the human JARID1C (SMCX) protein.
Biomol.Nmr Assign., 2, 2008
3HEK
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BU of 3hek by Molmil
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
Descriptor: Heat shock protein HSP 90-alpha, PHOSPHATE ION, [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
Authors:Gajiwala, K.S.
Deposit date:2009-05-08
Release date:2009-09-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
3HEI
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BU of 3hei by Molmil
Ligand Recognition by A-Class Eph Receptors: Crystal Structures of the EphA2 Ligand-Binding Domain and the EphA2/ephrin-A1 Complex
Descriptor: Ephrin type-A receptor 2, Ephrin-A1
Authors:Himanen, J.P, Goldgur, Y, Miao, H, Myshkin, E, Guo, H, Buck, M, Nguyen, M, Rajashankar, K.R, Wang, B, Nikolov, D.B.
Deposit date:2009-05-08
Release date:2009-06-30
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand recognition by A-class Eph receptors: crystal structures of the EphA2 ligand-binding domain and the EphA2/ephrin-A1 complex.
Embo Rep., 10, 2009
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
Descriptor: SULFATE ION, UMP-CMP kinase
Authors:Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
Deposit date:2021-03-05
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
5MVY
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BU of 5mvy by Molmil
Thin Filament at low calcium concentration
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle
Authors:Paul, D.M, Squire, J.M, Morris, E.P.
Deposit date:2017-01-17
Release date:2018-02-14
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (28.4 Å)
Cite:Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism.
J. Struct. Biol., 197, 2017
3HG1
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BU of 3hg1 by Molmil
Germline-governed recognition of a cancer epitope by an immunodominant human T cell receptor
Descriptor: Beta-2-microglobulin, CANCER/MART-1, GLYCEROL, ...
Authors:Cole, D.K, Yuan, F, Rizkallah, P.J, Miles, J.J, Gostick, E, Price, D.A, Gao, G.F, Jakobsen, B.K, Sewell, A.K.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Germ line-governed recognition of a cancer epitope by an immunodominant human T-cell receptor.
J.Biol.Chem., 284, 2009
5MWU
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BU of 5mwu by Molmil
Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl
Descriptor: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S.
Deposit date:2017-01-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme
To Be Published
2YHE
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BU of 2yhe by Molmil
Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp.
Descriptor: SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION
Authors:Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G.
Deposit date:2011-04-29
Release date:2012-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
3HF8
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BU of 3hf8 by Molmil
Crystal structure of human tryoptophan hydroxylase type 1 with bound LP-533401 and Fe
Descriptor: 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Tari, L.W, Swanson, R.V, Hunter, M.J.
Deposit date:2009-05-11
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of Inhibition of Novel Tryptophan Hydroxylase Inhibitors Revealed by Co-crystal Structures and Kinetic Analysis.
Curr Chem Genomics, 4, 2010
2OAE
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BU of 2oae by Molmil
Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31
Descriptor: Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION
Authors:Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P.
Deposit date:2006-12-15
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007

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