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2K21
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BU of 2k21 by Molmil
NMR structure of human KCNE1 in LMPG micelles at pH 6.0 and 40 degree C
Descriptor: Potassium voltage-gated channel subfamily E member
Authors:Kang, C, Tian, C, Sonnichsen, F.D, Smith, J.A, Meiler, J, George, A.L, Vanoye, C.G, Sanders, C.R, Kim, H.
Deposit date:2008-03-19
Release date:2008-12-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of KCNE1 and implications for how it modulates the KCNQ1 potassium channel.
Biochemistry, 47, 2008
2K39
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BU of 2k39 by Molmil
Recognition dynamics up to microseconds revealed from RDC derived ubiquitin ensemble in solution
Descriptor: Ubiquitin
Authors:Lange, O.F, Lakomek, N.A, Fares, C, Schroder, G, Walter, K, Becker, S, Meiler, J, Grubmuller, H, Griesinger, C, de Groot, B.L.
Deposit date:2008-04-25
Release date:2008-06-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution.
Science, 320, 2008
2LLE
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BU of 2lle by Molmil
Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds
Descriptor: Chemotaxis protein CheY, Imidazole glycerol phosphate synthase subunit HisF chimera
Authors:Coles, M, Truffault, V, Eisenbeis, S, Proffitt, W, Meiler, J, Hocker, B.
Deposit date:2011-11-07
Release date:2012-03-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Potential of fragment recombination for rational design of proteins.
J.Am.Chem.Soc., 134, 2012
5O30
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BU of 5o30 by Molmil
Crystal structure of the novel halohydrin dehalogenase HheG
Descriptor: ACETATE ION, GLYCEROL, Putative oxidoreductase
Authors:Diederich, C, Schallmey, A, Blankenfeldt, W.
Deposit date:2017-05-23
Release date:2017-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HheG, a Halohydrin Dehalogenase with Activity on Cyclic Epoxides
Acs Catalysis, 2017
3MWK
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BU of 3mwk by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, complex with 8-oxo-AMP
Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3MWJ
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BU of 3mwj by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, apo form
Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3NBF
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BU of 3nbf by Molmil
Q28E mutant of hera helicase N-terminal domain bound to 8-oxo-ADP
Descriptor: Heat resistant RNA dependent ATPase, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-06-03
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3MWL
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BU of 3mwl by Molmil
Q28E mutant of HERA N-terminal RecA-like domain in complex with 8-OXOADENOSINE
Descriptor: 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one, Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3OBR
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BU of 3obr by Molmil
Crystal structure of Botulinum neurotoxin serotype D binding domain
Descriptor: Botulinum neurotoxin type D, GLYCEROL
Authors:Zong, Y, Lee, K.K, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
3OBT
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BU of 3obt by Molmil
Crystal structure of Botulinum neurotoxin serotype D ligand binding domain in complex with N-Acetylneuraminic acid
Descriptor: Botulinum neurotoxin type D, GLYCEROL, N-acetyl-beta-neuraminic acid
Authors:Lee, K.K, Zong, Y, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
3NEJ
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BU of 3nej by Molmil
Q28E mutant of Hera RNA helicase N-terminal domain - perfectly twinned hexagonal form
Descriptor: Heat resistant RNA dependent ATPase
Authors:Rudolph, M.G.
Deposit date:2010-06-09
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
6W8E
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BU of 6w8e by Molmil
Crystal Structure Analysis of Space-grown Lysozyme
Descriptor: CHLORIDE ION, Lysozyme
Authors:Fernandez, D, Russi, S.
Deposit date:2020-03-20
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Protein structural changes on a CubeSat under rocket acceleration profile.
NPJ Microgravity, 6, 2020
6P9J
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BU of 6p9j by Molmil
crystal structure of human anti staphylococcus aureus antibody STAU-229 Fab
Descriptor: TRIS(HYDROXYETHYL)AMINOMETHANE, human anti staphylococcus aureus antibody STAU-229 Fab heavy chain, human anti staphylococcus aureus antibody STAU-229 Fab light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
6P9I
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BU of 6p9i by Molmil
crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab
Descriptor: human anti staphylococcus aureus antibody STAU-399 Fab heavy chain, human anti staphylococcus aureus antibody STAU-399 Fab light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
6W7P
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BU of 6w7p by Molmil
Crystal Structure Analysis of Space-grown Lysozyme - Ground experiment
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Fernandez, D, Russi, S.
Deposit date:2020-03-19
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein structural changes on a CubeSat under rocket acceleration profile.
NPJ Microgravity, 6, 2020
6S4A
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BU of 6s4a by Molmil
Structure of human MTHFD2 in complex with TH9028
Descriptor: (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
Authors:Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
Deposit date:2019-06-27
Release date:2021-07-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4F
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BU of 6s4f by Molmil
Structure of human MTHFD2 in complex with TH9619
Descriptor: (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
Authors:Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
Deposit date:2019-06-27
Release date:2021-07-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4E
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BU of 6s4e by Molmil
Structure of human MTHFD2 in complex with TH7299
Descriptor: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P.
Deposit date:2019-06-27
Release date:2021-07-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
8YRG
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BU of 8yrg by Molmil
CryoEM structure of fospropofol-bound MRGPRX4-Gq complex
Descriptor: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Roth, B.L.
Deposit date:2024-03-21
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:MRGPRX4 mediates phospho-drug-associated pruritus in a humanized mouse model.
Sci Transl Med, 16, 2024
4ZWS
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BU of 4zws by Molmil
Crystal Structure of the Bacteriophage T4 recombination mediator protein UvsY, Lattice Type III
Descriptor: Recombination protein uvsY
Authors:Gajewski, S, White, S.W.
Deposit date:2015-05-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc.Natl.Acad.Sci.USA, 113, 2016
6CF1
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BU of 6cf1 by Molmil
Proteus vulgaris HigA antitoxin structure
Descriptor: Antitoxin HigA, POTASSIUM ION
Authors:Schureck, M.A, Hoffer, E.D, Ei Cho, S, Dunham, C.M.
Deposit date:2018-02-13
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of transcriptional regulation by the HigA antitoxin.
Mol.Microbiol., 111, 2019
4ZWT
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BU of 4zwt by Molmil
Crystal Structure of the Bacteriophage T4 recombination mediator protein UvsY, Lattice Type IV
Descriptor: Recombination protein uvsY
Authors:Gajewski, S, White, S.W.
Deposit date:2015-05-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc.Natl.Acad.Sci.USA, 113, 2016
6CHV
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BU of 6chv by Molmil
Proteus vulgaris HigA antitoxin bound to DNA
Descriptor: Antitoxin HigA, MAGNESIUM ION, pHigCryst3, ...
Authors:Schureck, M.A, Hoffer, E.D, Onuoha, N, Dunham, C.M.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcriptional regulation by the HigA antitoxin.
Mol.Microbiol., 111, 2019
6D0U
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BU of 6d0u by Molmil
Crystal structure of C05 V110P/A117E mutant bound to H3 influenza hemagglutinin, HA1 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody C05 V110P/A117E mutant, heavy chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2018-04-11
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3MFA
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BU of 3mfa by Molmil
Computationally designed endo-1,4-beta-xylanase
Descriptor: Endo-1,4-beta-xylanase, SULFATE ION
Authors:Morin, A, Harp, J.M.
Deposit date:2010-04-01
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Computational design of an endo-1,4-{beta}-xylanase ligand binding site.
Protein Eng.Des.Sel., 24, 2011

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