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1BHS
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BU of 1bhs by Molmil
HUMAN ESTROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE
Descriptor: 17BETA-HYDROXYSTEROID DEHYDROGENASE
Authors:Ghosh, D.
Deposit date:1995-04-19
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase at 2.20 A resolution.
Structure, 3, 1995
6SWV
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BU of 6swv by Molmil
Trypsin fast data collection
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:von Stetten, D, Mueller-Dieckmann, C.
Deposit date:2019-09-24
Release date:2020-05-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
5FMZ
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BU of 5fmz by Molmil
Crystal structure of Influenza B polymerase with bound 5' vRNA
Descriptor: 5'-R(*AP*GP*UP*AP*GP*UP*AP*AP*CP*AP*AP*GP)-3', POLYMERASE ACIDIC PROTEIN, POLYMERASE BASIC PROTEIN 2, ...
Authors:Guilligay, D, Cusack, S.
Deposit date:2015-11-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
5FMQ
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BU of 5fmq by Molmil
Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-07
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
1BBD
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BU of 1bbd by Molmil
THREE DIMENSIONAL STRUCTURE OF THE FAB FRAGMENT OF A NEUTRALIZING ANTIBODY TO HUMAN RHINOVIRUS SEROTYPE 2
Descriptor: IGG2A-KAPPA 8F5 FAB (HEAVY CHAIN), IGG2A-KAPPA 8F5 FAB (LIGHT CHAIN), SULFATE ION
Authors:Tormo, J, Blaas, D, Fita, I.
Deposit date:1992-05-05
Release date:1994-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of the Fab fragment of a neutralizing antibody to human rhinovirus serotype 2.
Protein Sci., 1, 1992
8EMA
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BU of 8ema by Molmil
mouse full length B cell receptor
Descriptor: Anti-human Langerin 2G3 lambda chain, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ...
Authors:Ying, D, Xiong, P, Michael, R.
Deposit date:2022-09-27
Release date:2022-11-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Structural principles of B cell antigen receptor assembly.
Nature, 612, 2022
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-02-28
Release date:2023-03-22
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
3FXU
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BU of 3fxu by Molmil
Crystal structure of TsaR in complex with its effector p-toluenesulfonate
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
4TQF
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BU of 4tqf by Molmil
Crystal Structure of the C-terminal domain of IFRS bound with 2-(5-bromothienyl)-L-Ala and ATP
Descriptor: 1,2-ETHANEDIOL, 3-(5-bromothiophen-2-yl)-L-alanine, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Nakamura, A, O'Donoghue, P, Soll, D.
Deposit date:2014-06-11
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7143 Å)
Cite:Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
1BEV
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BU of 1bev by Molmil
BOVINE ENTEROVIRUS VG-5-27
Descriptor: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4, MYRISTIC ACID, SULFATE ION
Authors:Smyth, M, Tate, J, Lyons, C, Hoey, E, Martin, S, Stuart, D.
Deposit date:1996-04-03
Release date:1998-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Implications for viral uncoating from the structure of bovine enterovirus.
Nat.Struct.Biol., 2, 1995
5H8C
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BU of 5h8c by Molmil
Truncated XPD
Descriptor: IRON/SULFUR CLUSTER, XPD/Rad3 related DNA helicase
Authors:Naismith, J.H, Constantinescu, D.
Deposit date:2015-12-23
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Mechanism of DNA loading by the DNA repair helicase XPD.
Nucleic Acids Res., 44, 2016
8AFB
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BU of 8afb by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
Descriptor: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
5H8W
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BU of 5h8w by Molmil
XPD mechanism
Descriptor: ATP-dependent DNA helicase Ta0057, DNA (5'-D(P*TP*AP*CP*GP*A)-3'), IRON/SULFUR CLUSTER, ...
Authors:Naismith, J.H, Constantinescu, D.
Deposit date:2015-12-24
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of DNA loading by the DNA repair helicase XPD.
Nucleic Acids Res., 44, 2016
8AFC
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BU of 8afc by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
Descriptor: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8QVT
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BU of 8qvt by Molmil
Crystal structure of Zea mays cytokinin oxidase/dehydrogenase 5 (ZmCKX5)
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Kopecny, D, Briozzo, P.
Deposit date:2023-10-18
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cytokinin Dehydrogenase in Xylem Sap Reveals A Direct Link Between Metabolism and Long-Distance Transport
to be published
8AFD
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BU of 8afd by Molmil
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Descriptor: (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ...
Authors:Boettcher, J, Kessler, D.
Deposit date:2022-07-16
Release date:2022-11-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.633 Å)
Cite:Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
3ZKT
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BU of 3zkt by Molmil
SOLUTION STRUCTURE OF THE SOMATOSTATIN SST3 RECEPTOR ANTAGONIST TAU- CONOTOXIN CnVA
Descriptor: TAU-CNVA
Authors:Petrel, C, Hocking, H.G, Reynaud, M, Favreau, P, Paolini-Bertrand, M, Peigneur, S, Upert, G, Tytgat, J, Gilles, N, Hartley, O, Boelens, R, Stocklin, R, Servent, D.
Deposit date:2013-01-24
Release date:2013-04-24
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Identification, Structural and Pharmacological Characterization of Tau-Cnva, a Conopeptide that Selectively Interacts with Somatostatin Sst3 Receptor.
Biochem.Pharmacol, 85, 2013
6T1A
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BU of 6t1a by Molmil
Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10
Descriptor: CALCIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
1BFD
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BU of 1bfd by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor: BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D.
Deposit date:1998-04-30
Release date:1998-06-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes.
Biochemistry, 37, 1998
6SVE
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BU of 6sve by Molmil
Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-10-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-10-03
Release date:2016-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
7ZDV
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BU of 7zdv by Molmil
IF(apo/as isolated) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-20)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDA
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BU of 7zda by Molmil
IF(apo/asym) conformation of CydDC in ADP+Pi(CydC)/ATP(CydD) bound state (Dataset-2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDR
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BU of 7zdr by Molmil
IF(apo/as isolated) conformation of CydDC mutant (H85A.C) in AMP-PNP(CydD) bound state (Dataset-16)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDF
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BU of 7zdf by Molmil
IF(heme/confined) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023

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