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2RRD
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BU of 2rrd by Molmil
Structure of HRDC domain from human Bloom syndrome protein, BLM
Descriptor: HRDC domain from Bloom syndrome protein
Authors:Sato, A, Mishima, M, Nagai, A, Kim, S.Y, Ito, Y, Hakoshima, T, Jee, J.G, Kitano, K.
Deposit date:2010-07-19
Release date:2010-09-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the HRDC domain of human Bloom syndrome protein BLM
J.Biochem., 148, 2010
7Z7P
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BU of 7z7p by Molmil
Structure of the fluorescent protein NeonCyan0.95 at pH 5.6
Descriptor: NeonCyan0.95, SULFATE ION
Authors:Depernet, H, Dupuy, J, Royant, A.
Deposit date:2022-03-16
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cyan fluorescent proteins derived from mNeonGreen.
Protein Eng.Des.Sel., 35, 2022
6E16
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BU of 6e16 by Molmil
Ternary structure of c-Myc-TBP-TAF1
Descriptor: Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein
Authors:Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2018-07-09
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Multiple direct interactions of TBP with the MYC oncoprotein.
Nat.Struct.Mol.Biol., 26, 2019
5HZ8
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BU of 5hz8 by Molmil
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Descriptor: 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
6OUD
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BU of 6oud by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
Descriptor: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.256 Å)
Cite:Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B
To Be Published
6OUF
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BU of 6ouf by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A
Descriptor: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.358 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published
7Z7O
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BU of 7z7o by Molmil
Structure of the fluorescent protein NeonCyan0.95 at pH 7.5
Descriptor: NeonCyan0.95
Authors:Clavel, D, Dupuy, J, Royant, A.
Deposit date:2022-03-16
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Cyan fluorescent proteins derived from mNeonGreen.
Protein Eng.Des.Sel., 35, 2022
6OWX
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BU of 6owx by Molmil
Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
7Z6S
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BU of 7z6s by Molmil
MATCAP bound to a human 14 protofilament microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bak, J, Perrakis, A.
Deposit date:2022-03-14
Release date:2022-05-11
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
6OWY
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BU of 6owy by Molmil
Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
7Z7Q
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BU of 7z7q by Molmil
Structure of the T207D single-point mutant of the fluorescent protein NeonCyan1 at pH 6.5
Descriptor: NeonCyan1
Authors:Duarte, K, Dupuy, J, Royant, A.
Deposit date:2022-03-16
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cyan fluorescent proteins derived from mNeonGreen.
Protein Eng.Des.Sel., 35, 2022
5HZ9
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BU of 5hz9 by Molmil
human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
6OXR
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BU of 6oxr by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-82
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXU
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BU of 6oxu by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-99
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY2
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BU of 6oy2 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-25
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
7Z1Z
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BU of 7z1z by Molmil
MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution
Descriptor: DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ...
Authors:Pye, V.E, Ballandras-Colas, A, Cherepanov, P.
Deposit date:2022-02-25
Release date:2022-05-11
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
6OXZ
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BU of 6oxz by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-20
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
7Z60
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BU of 7z60 by Molmil
Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside
Descriptor: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ...
Authors:Ciccone, L, Braca, A, Orlandini, E, Nencetti, S.
Deposit date:2022-03-10
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization
Crystals, 12, 2022
5I1E
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BU of 5i1e by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV1-39
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-06-08
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
1MZP
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BU of 1mzp by Molmil
Structure of the L1 protuberance in the ribosome
Descriptor: 50s ribosomal protein L1P, MAGNESIUM ION, fragment of 23S rRNA
Authors:Nikulin, A, Eliseikina, I, Tishchenko, S, Nevskaya, N, Davydova, N, Platonova, O, Piendl, W, Selmer, M, Liljas, A, Zimmermann, R, Garber, M, Nikonov, S.
Deposit date:2002-10-09
Release date:2003-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the L1 protuberance in the ribosome.
Nat.Struct.Biol., 10, 2003
7Z2I
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BU of 7z2i by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 4
Descriptor: 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-27
Release date:2022-05-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
6O4X
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BU of 6o4x by Molmil
Binary complex of native hAChE with 9-aminoacridine
Descriptor: 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
7Z25
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BU of 7z25 by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 12
Descriptor: 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-25
Release date:2022-05-25
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
5I1H
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BU of 5i1h by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV3-20
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.222 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019

223790

數據於2024-08-14公開中

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