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3ZN2
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BU of 3zn2 by Molmil
protein engineering of halohydrin dehalogenase
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ...
Authors:Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B.
Deposit date:2013-02-13
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase.
Enzyme.Microb.Technol., 70, 2015
7NS2
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BU of 7ns2 by Molmil
Virion of Leishmania RNA virus 1
Descriptor: Capsid protein
Authors:Prochazkova, M, Grybchuk, D, Fuzik, T.
Deposit date:2021-03-05
Release date:2022-09-21
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Virion structure of Leishmania RNA virus 1.
Virology, 577, 2022
6O5O
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BU of 6o5o by Molmil
Crystal Structure of the Disabled-2 (Dab2) Dab Homology Domain in Complex with Peptide STA02
Descriptor: ACE-QNGFDNPNYQPQENMQA, Disabled homolog 2, MAGNESIUM ION, ...
Authors:Chavez, M, Madden, D.R.
Deposit date:2019-03-04
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Disabled-2 (Dab2) Dab Homology Domain in Complex with Peptide STA02
To Be Published
6OVF
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BU of 6ovf by Molmil
Crystal Structure of the Disabled-2 (Dab2) Dab Homology Domain in Complex with Peptide STA03
Descriptor: Disabled homolog 2, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Chavez, M, Madden, D.R.
Deposit date:2019-05-07
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the Disabled-2 (Dab2) Dab Homology Domain in Complex with Peptide STA03
To Be Published
8B3W
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BU of 8b3w by Molmil
Structure of metacyclic VSG (mVSG) 1954 from Trypanosoma brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Variant surface glycoprotein 1954
Authors:Chandra, M, Stebbins, C.E.
Deposit date:2022-09-17
Release date:2023-01-25
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
8B3B
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BU of 8b3b by Molmil
Structure of metacyclic VSG (mVSG) 531 from Trypanosoma brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 531, alpha-D-mannopyranose, ...
Authors:Chandra, M, Stebbins, C.E.
Deposit date:2022-09-16
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
5L40
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BU of 5l40 by Molmil
polyketide ketoreductase SimC7 - apo crystal form 1
Descriptor: polyketide ketoreductase SimC7
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-24
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5L4L
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BU of 5l4l by Molmil
polyketide ketoreductase SimC7 - ternary complex with NADP+ and 7-oxo-SD8
Descriptor: 7-oxo-simocyclinone D8, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5L3Z
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BU of 5l3z by Molmil
polyketide ketoreductase SimC7 - binary complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-24
Release date:2016-10-05
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
5L45
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BU of 5l45 by Molmil
polyketide ketoreductase SimC7 - apo crystal form 2
Descriptor: GLYCEROL, SimC7, TETRAETHYLENE GLYCOL
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
6Y83
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BU of 6y83 by Molmil
Capsid structure of Leishmania RNA virus 1
Descriptor: Capsid protein
Authors:Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
Deposit date:2020-03-03
Release date:2020-11-11
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
6EDX
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BU of 6edx by Molmil
Crystal Structure of SGK3 PX domain
Descriptor: GLYCEROL, Serine/threonine-protein kinase Sgk3
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-12
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EE0
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BU of 6ee0 by Molmil
Crystal Structure of SNX23 PX domain
Descriptor: Kinesin-like protein KIF16B
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-12
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6ECM
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BU of 6ecm by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation
Descriptor: SULFATE ION, Sorting nexin-15
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-08
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
7Z90
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BU of 7z90 by Molmil
Leishmania RNA virus 1 virion
Descriptor: Capsid protein,Major capsid protein
Authors:Prochazkova, M, Plevka, P.
Deposit date:2022-03-19
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Virion structure of Leishmania RNA virus 1.
Virology, 577, 2022
6MBI
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BU of 6mbi by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation form 2
Descriptor: Sorting nexin-15
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.834 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
5G5R
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BU of 5g5r by Molmil
CBS domain tandem of site-2 protease from Archaeoglobus fulgidus in complex with llama Nanobody - apo form
Descriptor: NANOBODY, SITE-2 PROTEASE, SULFATE ION
Authors:Schacherl, M, Baumann, U.
Deposit date:2016-06-02
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic and biochemical characterization of the dimeric architecture of site-2 protease.
Biochim. Biophys. Acta, 1859, 2017
5G2N
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BU of 5g2n by Molmil
X-ray structure of PI3Kinase Gamma in complex with Copanlisib
Descriptor: 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J.
Deposit date:2016-04-11
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
5G5X
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BU of 5g5x by Molmil
CBS domain tandem of site-2 protease from Archaeoglobus fulgidus in complex with llama Nanobody - nucleotide-bound form
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, NANOBODY, ...
Authors:Schacherl, M, Baumann, U.
Deposit date:2016-06-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic and biochemical characterization of the dimeric architecture of site-2 protease.
Biochim. Biophys. Acta, 1859, 2017
7FBY
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BU of 7fby by Molmil
Crystal Structure of PH0140 from Pyrococcus horikosii OT3
Descriptor: 1,2-ETHANEDIOL, ISOLEUCINE, Transcriptional regulatory protein
Authors:Richard, M, Ahmad, M, Pal, R.K, Biswal, B.K, Jeyakanthan, J.
Deposit date:2021-07-13
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal Structure of PH0140 from Pyrococcus horikosii OT3
To Be Published
5OVY
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BU of 5ovy by Molmil
Crystal structure of MAB_4384 tetR
Descriptor: Putative transcriptional regulator, TetR family
Authors:Richard, M, Gutierrez, A.V, Viljoen, A, Ghigo, E, Blaise, M, Kremer, L.
Deposit date:2017-08-30
Release date:2018-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic and Structural Insights Into the Unique TetR-Dependent Regulation of a Drug Efflux Pump inMycobacterium abscessus.
Front Microbiol, 9, 2018
6HHC
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BU of 6hhc by Molmil
Allosteric Inhibition as a new mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated form of Coagulation Factor XI
Descriptor: Coagulation factor XI, DIMETHYL SULFOXIDE, FXIA ANTIBODY FAB HEAVY CHAIN, ...
Authors:Schaefer, M, Buchmueller, A, Dittmer, F, Strassburger, J, Wilmen, A.
Deposit date:2018-08-27
Release date:2019-09-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI.
J.Mol.Biol., 431, 2019
5IG5
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BU of 5ig5 by Molmil
Crystal structure of N. vectensis CaMKII-B hub at pH 4.2
Descriptor: CaMKII-B hub
Authors:Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5IG4
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BU of 5ig4 by Molmil
Crystal structure of N. vectensis CaMKII-A hub
Descriptor: GLYCEROL, Predicted protein
Authors:Bhattacharyya, M, Pappireddi, N, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
5IG1
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BU of 5ig1 by Molmil
Crystal structure of S. rosetta CaMKII kinase domain
Descriptor: CAMK/CAMK2 protein kinase, PHOSPHATE ION
Authors:Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J.
Deposit date:2016-02-26
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016

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