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4H00
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BU of 4h00 by Molmil
The crystal structure of mon-Zn dihydropyrimidinase from Tetraodon nigroviridis
Descriptor: ZINC ION, dihydropyrimidinase
Authors:Hsieh, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J.
Deposit date:2012-09-06
Release date:2013-09-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lysine Carboxylation: Metal and Structural Requirements for Post-translational Modification
To be Published
4YD7
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BU of 4yd7 by Molmil
Endothiapepsin in complex with fragment 255
Descriptor: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-21
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
8IAJ
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BU of 8iaj by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex
Descriptor: N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ...
Authors:Xie, T, Gong, X.
Deposit date:2023-02-08
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
6WZM
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BU of 6wzm by Molmil
LY3041658 Fab bound to CXCL8
Descriptor: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ...
Authors:Durbin, J.D, Druzina, Z.
Deposit date:2020-05-14
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
4Z4S
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BU of 4z4s by Molmil
Crystal structure of GII.10 P domain in complex with 150mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
8IAM
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BU of 8iam by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3D) complex
Descriptor: Chimera of Long chain base biosynthesis protein 1 and Serine palmitoyltransferase 1, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Xie, T, Gong, X.
Deposit date:2023-02-08
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
6ZMB
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BU of 6zmb by Molmil
Structure of the native tRNA-Monooxygenase enzyme MiaE
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Carpentier, P, Atta, M.
Deposit date:2020-07-02
Release date:2020-09-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
6WUW
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BU of 6wuw by Molmil
Crystal structure of Human Serum Albumin complex with JMS-053
Descriptor: 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ...
Authors:Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
4Z4V
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BU of 4z4v by Molmil
Crystal structure of GII.10 P domain in complex with 19mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
6NMQ
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BU of 6nmq by Molmil
Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase 2 (PHD2) in Complex with the Carboxamide Analog JNJ43058171
Descriptor: Egl nine homolog 1, FE (II) ION, N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
Authors:Bembenek, S.D, Mirzadegan, T.
Deposit date:2019-01-11
Release date:2019-04-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2.
Acs Omega, 4, 2019
6ZQP
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BU of 6zqp by Molmil
Structure of the Pmt2-MIR domain with bound ligands
Descriptor: GLYCEROL, PMT2 isoform 1, SULFATE ION, ...
Authors:Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I.
Deposit date:2020-07-10
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
7ZH8
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BU of 7zh8 by Molmil
DYRK1a in Complex with a Bromo-Triazolo-Pyridine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M.
Deposit date:2022-04-05
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
4RTF
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BU of 4rtf by Molmil
Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, TETRAETHYLENE GLYCOL
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Endres, M, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2014-11-14
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
To be Published
6NOV
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BU of 6nov by Molmil
A Fab derived from ixekizumab
Descriptor: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5L88
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BU of 5l88 by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-07
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
5L9D
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BU of 5l9d by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-10
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
Descriptor: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6ZQH
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BU of 6zqh by Molmil
Yeast Uba1 in complex with ubiquitin
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
4Z4W
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BU of 4z4w by Molmil
Crystal structure of GII.10 P domain in complex with 4.7mM fucose
Descriptor: 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose
Authors:Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
Deposit date:2015-04-02
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
6NYX
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BU of 6nyx by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
Authors:Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
Deposit date:2019-02-12
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
7U1Y
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BU of 7u1y by Molmil
Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+
Descriptor: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
5ID7
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BU of 5id7 by Molmil
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
Descriptor: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
Authors:Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
Deposit date:2016-02-24
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016

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PDB entries from 2024-07-17

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