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5ML2
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BU of 5ml2 by Molmil
The crystal structure of PDE6D in complex with inhibitor-3
Descriptor: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NQ5
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BU of 5nq5 by Molmil
Mtb TMK crystal structure in complex with compound 1
Descriptor: 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase
Authors:Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
Deposit date:2017-04-19
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
5NRQ
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BU of 5nrq by Molmil
Mtb TMK crystal structure in complex with compound 33
Descriptor: 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
Authors:Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
Deposit date:2017-04-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mtb TMK crystal structure in complex with compound LS3112
To Be Published
8J12
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BU of 8j12 by Molmil
Cryo-EM structure of the AsCas12f-sgRNA-target DNA ternary complex
Descriptor: DNA (38-MER), MAGNESIUM ION, RNA (247-MER), ...
Authors:Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O.
Deposit date:2023-04-12
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Minimal and most efficient genome editing Cas enzyme
To Be Published
5NRN
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BU of 5nrn by Molmil
Mtb TMK crystal structure in complex with compound 3
Descriptor: 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
Authors:Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
Deposit date:2017-04-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mtb TMK crystal structure in complex with compound LS3080
To Be Published
4M46
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BU of 4m46 by Molmil
Crystal structure of a green-emitter native of Lampyris turkestanicus luciferase
Descriptor: Luciferase
Authors:Sharafian, Z, Hosseinkhani, S, Naderi-manesh, H.
Deposit date:2013-08-06
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of native and a mutant of Lampyris turkestanicus luciferase implicate in bioluminescence color shift.
Biochim.Biophys.Acta, 1834, 2013
3DP6
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BU of 3dp6 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR2 bound to glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
2X8W
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BU of 2x8w by Molmil
The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Malonate.
Descriptor: MALONATE ION, METHYLGLYOXAL SYNTHASE
Authors:Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H.
Deposit date:2010-03-13
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Methylglyoxal Synthase from Thermus Sp.Gh5 in the Open and Closed Conformational States Provide Insight Into the Mechanism of Allosteric Regulation
To be Published
3EU5
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BU of 3eu5 by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BiotinGPP
Descriptor: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
Authors:Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
Deposit date:2008-10-09
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
3EVR
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BU of 3evr by Molmil
Crystal structure of Calcium bound monomeric GCAMP2
Descriptor: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
Authors:Wang, Q, Shui, B, Kotlikoff, M.I, Sondermann, H.
Deposit date:2008-10-13
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Calcium Sensing by GCaMP2.
Structure, 16, 2008
3EVP
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BU of 3evp by Molmil
crystal structure of circular-permutated EGFP
Descriptor: Green fluorescent protein,Green fluorescent protein
Authors:Wang, Q, Shui, B, Kotlikoff, M.I, Sondermann, H.
Deposit date:2008-10-13
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.453 Å)
Cite:Structural Basis for Calcium Sensing by GCaMP2.
Structure, 16, 2008
4JV6
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BU of 4jv6 by Molmil
The crystal structure of PDE6D in complex to inhibitor-1
Descriptor: 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
4JV8
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BU of 4jv8 by Molmil
The crystal structure of PDE6D in complex with rac-S1
Descriptor: (6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
3EVV
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BU of 3evv by Molmil
Crystal Structure of Calcium bound dimeric GCAMP2 (#2)
Descriptor: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
Authors:Wang, Q, Shui, B, Kotlikoff, M.I, Sondermann, H.
Deposit date:2008-10-13
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Calcium Sensing by GCaMP2.
Structure, 16, 2008
3EVU
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BU of 3evu by Molmil
Crystal structure of Calcium bound dimeric GCAMP2
Descriptor: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
Authors:Wang, Q, Shui, B, Kotlikoff, M.I, Sondermann, H.
Deposit date:2008-10-13
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Calcium Sensing by GCaMP2.
Structure, 16, 2008
1HS1
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BU of 1hs1 by Molmil
SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UUAACU AS PART OF HAIRPIN R(GCGUUAACUCGCA)
Descriptor: 5'-R(*GP*CP*GP*UP*UP*AP*AP*CP*UP*CP*GP*CP*A)-3'
Authors:Zhang, H, Culyba, M, Volkman, H, Krugh, T.R.
Deposit date:2000-12-22
Release date:2003-09-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Characterization of Six-Nucleotide RNA Hairpin loops: r(UUAAUU), r(UUAAAU), r(UUAACU)
To be Published
1HS3
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BU of 1hs3 by Molmil
SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UUAAUU AS PART OF HAIRPIN R(GCGUUAAUUCGCA)
Descriptor: 5'-R(*GP*CP*GP*UP*UP*AP*AP*UP*UP*CP*GP*CP*A)-3'
Authors:Zhang, H, Culyba, M, Volkman, H, Krugh, T.R.
Deposit date:2000-12-22
Release date:2003-09-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Characterization of Six-Nucleotide RNA Hairpin loops: r(UUAAUU), r(UUAAAU), r(UUAACU)
To be Published
3HAH
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BU of 3hah by Molmil
Crystal structure of human PACSIN1 F-BAR domain (C2 lattice)
Descriptor: CALCIUM ION, human PACSIN1 F-BAR
Authors:Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H.
Deposit date:2009-05-01
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
6S9A
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BU of 6s9a by Molmil
Artificial GTPase-BSE dimer of human Dynamin1
Descriptor: CHLORIDE ION, Dynamin-1,Dynamin-1, ZINC ION
Authors:Ganichkin, O.M, Vancraenenbroeck, R, Rosenblum, G, Hofmann, H, Daumke, O, Noel, J.K.
Deposit date:2019-07-11
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Quantification and demonstration of the collective constriction-by-ratchet mechanism in the dynamin molecular motor.
Proc.Natl.Acad.Sci.USA, 118, 2021
1NVX
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BU of 1nvx by Molmil
Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J.
Deposit date:2003-02-04
Release date:2003-04-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Cell(Cambridge,Mass.), 112, 2003
1NVW
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BU of 1nvw by Molmil
Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J.
Deposit date:2003-02-04
Release date:2003-04-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Cell(Cambridge,Mass.), 112, 2003
1NVU
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BU of 1nvu by Molmil
Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J.
Deposit date:2003-02-04
Release date:2003-04-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Cell(Cambridge,Mass.), 112, 2003
6O26
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BU of 6o26 by Molmil
Crystal structure of 3246 Fab in complex with circumsporozoite protein NANA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3246 Fab heavy chain, ...
Authors:Scally, S.W, Bosch, A, Castro, K, Murugan, R, Wardemann, H, Julien, J.P.
Deposit date:2019-02-22
Release date:2020-03-04
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
1OEB
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BU of 1oeb by Molmil
Mona/Gads SH3C domain
Descriptor: CADMIUM ION, GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2
Authors:Harkiolaki, M, Lewitzky, M, Gilbert, R.J.C, Jones, E.Y, Bourette, R.P, Mouchiroud, G, Sondermann, H, Moarefi, I, Feller, S.M.
Deposit date:2003-03-24
Release date:2003-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for SH3 Domain-Mediated High-Affinity Binding between Mona/Gads and Slp-76
Embo J., 22, 2003
6O2C
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BU of 6o2c by Molmil
Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain
Descriptor: 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ...
Authors:Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P.
Deposit date:2019-02-22
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.017 Å)
Cite:Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020

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