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5H7V
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BU of 5h7v by Molmil
Structure of full-length extracellular domain of HAI-1 at pH 4.6
Descriptor: Kunitz-type protease inhibitor 1
Authors:Liu, M, Huang, M.
Deposit date:2016-11-21
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
5H9B
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BU of 5h9b by Molmil
Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and Mg2+/AMPPN
Descriptor: AMP PHOSPHORAMIDATE, Calcium/calmodulin-dependent protein kinase II, isoform C, ...
Authors:Castro-Rodrigues, A.F, Morais-Cabral, J.H.
Deposit date:2015-12-27
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
J.Mol.Biol., 430, 2018
4P4B
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BU of 4p4b by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT54
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P4D
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BU of 4p4d by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P4F
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BU of 4p4f by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor NC-2-40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
3FEE
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BU of 3fee by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
3FED
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BU of 3fed by Molmil
The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu
Descriptor: (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C, Hlouchova, K.
Deposit date:2008-11-28
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
4P4I
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BU of 4p4i by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
6KCU
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BU of 6kcu by Molmil
Shuguo PWWP domain
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LD23804p
Authors:Liu, Y.C, Huang, Y.
Deposit date:2019-06-29
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Shuguo PWWP domain
To Be Published
3G7T
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BU of 3g7t by Molmil
Crystal structure of dengue virus type 1 envelope protein in the postfusion conformation
Descriptor: CHLORIDE ION, Envelope protein
Authors:Modis, Y.
Deposit date:2009-02-10
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of dengue virus type 1 envelope protein in the postfusion conformation and its implications for membrane fusion.
J.Virol., 83, 2009
6KCO
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BU of 6kco by Molmil
Shuguo PWWP in complex with ssDNA
Descriptor: DNA (5'-D(*TP*CP*CP*CP*T)-3'), LD23804p
Authors:Liu, Y.C, Huang, Y.
Deposit date:2019-06-28
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Shuguo PWWP in complex with ssDNA
To Be Published
5F84
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BU of 5f84 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its glycoprotein product (glucosylated EGF repeat) and UDP
Descriptor: Coagulation factor IX, O-glucosyltransferase rumi, SULFATE ION, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
6I0V
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BU of 6i0v by Molmil
Crystal structure of DmTailor in complex with CACAGU RNA
Descriptor: MAGNESIUM ION, RNA (5'-R(*CP*AP*CP*AP*GP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Kroupova, A, Ivascu, A, Jinek, M.
Deposit date:2018-10-26
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
6I0S
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BU of 6i0s by Molmil
Crystal structure of DmTailor in complex with UMPNPP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, Terminal uridylyltransferase Tailor
Authors:Kroupova, A, Ivascu, A, Jinek, M.
Deposit date:2018-10-26
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
6I0T
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BU of 6i0t by Molmil
Crystal structure of DmTailor in complex with GpU
Descriptor: RNA (5'-R(*GP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Kroupova, A, Ivascu, A, Jinek, M.
Deposit date:2018-10-26
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
5HLE
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BU of 5hle by Molmil
Structural basis of backwards motion in kinesin-14: minus-end directed nKn664 in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational,Minus-end kinesin-1/kinesin-14,Protein claret segregational
Authors:Nitta, R.
Deposit date:2016-01-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Backwards motion in kinesin-14 requires neck-mimic to control a neck-helix swing.
To Be Published
4QTR
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BU of 4qtr by Molmil
Computational design of co-assembling protein-DNA nanowires
Descriptor: DNA (5'-D(P*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*TP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*AP*TP*TP*TP*AP*AP*TP*TP*TP*CP*C)-3'), dualENH
Authors:Mou, Y, Mayo, S.L.
Deposit date:2014-07-08
Release date:2015-07-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of co-assembling protein-DNA nanowires.
Nature, 525, 2015
4QT8
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BU of 4qt8 by Molmil
Crystal Structure of RON Sema-PSI-IPT1 extracellular domains in complex with MSP beta-chain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor-like protein, Macrophage-stimulating protein receptor, ...
Authors:Herzberg, O, Chao, K.L.
Deposit date:2014-07-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the binding specificity of human Recepteur d'Origine Nantais (RON) receptor tyrosine kinase to macrophage-stimulating protein.
J.Biol.Chem., 289, 2014
4R08
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BU of 4r08 by Molmil
Crystal structure of human TLR8 in complex with ssRNA40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate), ...
Authors:Tanji, H, Ohto, U, Shimizu, T.
Deposit date:2014-07-30
Release date:2015-01-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toll-like receptor 8 senses degradation products of single-stranded RNA.
Nat.Struct.Mol.Biol., 22, 2015
6K0O
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BU of 6k0o by Molmil
The crystal structure of human CD163-like homolog SRCR8
Descriptor: Scavenger receptor cysteine-rich type 1 protein M160
Authors:Ma, H, Li, R, Jiang, L, Qiao, S, Zhang, G.
Deposit date:2019-05-07
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural comparison of CD163 SRCR5 from different species sheds some light on its involvement in porcine reproductive and respiratory syndrome virus-2 infection in vitro.
Vet Res, 52, 2021
4EZS
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BU of 4ezs by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26)
Descriptor: Chaperone protein DnaK, Metchnikowin, SULFATE ION
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of DnaK in complex with proline rich antimicrobial peptides reveal two different peptide binding modes
To be Published
3H3D
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BU of 3h3d by Molmil
Drosophila Pumilio RNA binding domain (Puf domain)
Descriptor: Maternal protein pumilio
Authors:Edwards, T.A, Aggarwal, A.K, Wharton, R.P.
Deposit date:2009-04-16
Release date:2009-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Pumilio reveals similarity between RNA and peptide binding motifs.
Cell(Cambridge,Mass.), 105, 2001
4OC3
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BU of 4oc3 by Molmil
X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CFIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C.
Deposit date:2014-01-08
Release date:2014-05-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
1T1M
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BU of 1t1m by Molmil
Binding position of ribosome recycling factor (RRF) on the E. coli 70S ribosome
Descriptor: 42-mer fragment of double helix from 16S rRNA, dodecamer fragment of double helix from 23S rRNA, ribosome recycling factor
Authors:Agrawal, R.K, Sharma, M.R, Kiel, M.C, Hirokawa, G, Booth, T.M, Spahn, C.M, Grassucci, R.A, Kaji, A, Frank, J.
Deposit date:2004-04-16
Release date:2004-06-15
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Visualization of ribosome-recycling factor on the Escherichia coli 70S ribosome: Functional implications
Proc.Natl.Acad.Sci.USA, 101, 2004

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