6UU2
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![BU of 6uu2 by Molmil](/molmil-images/mine/6uu2) | E. coli sigma-S transcription initiation complex with 3-nt RNA ("Old" crystal soaked with GTP and ATP for 30 minutes) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zuo, Y, De, S, Steitz, T.A. | Deposit date: | 2019-10-30 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.404 Å) | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation. Iscience, 23, 2020
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6UUC
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![BU of 6uuc by Molmil](/molmil-images/mine/6uuc) | E. coli sigma-S transcription initiation complex with a 3-nt RNA and a mismatching ATP ("Fresh" crystal soaked with ATP for 2 hours) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Zuo, Y, De, S, Steitz, T.A. | Deposit date: | 2019-10-30 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.096 Å) | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation. Iscience, 23, 2020
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6UU7
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![BU of 6uu7 by Molmil](/molmil-images/mine/6uu7) | E. coli sigma-S transcription initiation complex with a 6-nt RNA and an NTP ("Old" crystal soaked with UTP, CTP, ddGTP, and dinucleotide ApG for 30 minutes) | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Zuo, Y, De, S, Steitz, T.A. | Deposit date: | 2019-10-30 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation. Iscience, 23, 2020
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6UU5
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![BU of 6uu5 by Molmil](/molmil-images/mine/6uu5) | E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Old" crystal soaked with GTP, UTP, CTP, and dinucleotide GpA for 30 minutes) | Descriptor: | DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Zuo, Y, De, S, Steitz, T.A. | Deposit date: | 2019-10-30 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (5.403 Å) | Cite: | Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation. Iscience, 23, 2020
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6N80
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![BU of 6n80 by Molmil](/molmil-images/mine/6n80) | S. aureus ClpP bound to anti-4a | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2018-11-28 | Release date: | 2019-06-26 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX. J.Med.Chem., 62, 2019
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8W0Q
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![BU of 8w0q by Molmil](/molmil-images/mine/8w0q) | Pembrolizumab CDR-H3 Loop Mimic | Descriptor: | Pembrolizumab CDR-H3 Loop Mimic | Authors: | Feig, M, Roche, S.P. | Deposit date: | 2024-02-14 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | SOLUTION NMR | Cite: | De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 19, 2024
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4FIC
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![BU of 4fic by Molmil](/molmil-images/mine/4fic) | |
4N5R
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![BU of 4n5r by Molmil](/molmil-images/mine/4n5r) | Hen egg-white lysozyme phased using free-electron laser data | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C | Authors: | Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. | Deposit date: | 2013-10-10 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo protein crystal structure determination from X-ray free-electron laser data. Nature, 505, 2014
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7DGW
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![BU of 7dgw by Molmil](/molmil-images/mine/7dgw) | De novo designed protein H4A2S | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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6VFK
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![BU of 6vfk by Molmil](/molmil-images/mine/6vfk) | |
5E6G
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![BU of 5e6g by Molmil](/molmil-images/mine/5e6g) | |
1JM0
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![BU of 1jm0 by Molmil](/molmil-images/mine/1jm0) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | Authors: | Di Costanzo, L, Geremia, S. | Deposit date: | 2001-07-17 | Release date: | 2002-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001
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1JMB
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![BU of 1jmb by Molmil](/molmil-images/mine/1jmb) | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | Authors: | Di Costanzo, L, Geremia, S. | Deposit date: | 2001-07-18 | Release date: | 2002-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001
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1A48
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![BU of 1a48 by Molmil](/molmil-images/mine/1a48) | SAICAR SYNTHASE | Descriptor: | PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, SULFATE ION | Authors: | Levdikov, V.M, Melik-Adamyan, W.R, Lamzin, V.S, Wilson, K.S. | Deposit date: | 1998-02-12 | Release date: | 1999-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of SAICAR synthase: an enzyme in the de novo pathway of purine nucleotide biosynthesis. Structure, 6, 1998
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5NNQ
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5NNN
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7FBD
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![BU of 7fbd by Molmil](/molmil-images/mine/7fbd) | De novo design protein D53 with MBP tag | Descriptor: | Maltodextrin-binding protein,De novo design protein D53 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7FBB
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![BU of 7fbb by Molmil](/molmil-images/mine/7fbb) | De novo design protein D12 with MBP tag | Descriptor: | Maltodextrin-binding protein,de novo designed protein D12 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7FBC
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![BU of 7fbc by Molmil](/molmil-images/mine/7fbc) | De novo design protein D22 with MBP tag | Descriptor: | Maltodextrin-binding protein,De novo design protein D22 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7XD9
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![BU of 7xd9 by Molmil](/molmil-images/mine/7xd9) | Crystal Structure of Dengue Virus serotype 2 (DENV2) Polymerase Elongation Complex (CTP Form) | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Wu, J, Wang, X, Gong, P. | Deposit date: | 2022-03-26 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases. Proc.Natl.Acad.Sci.USA, 120, 2023
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7XD8
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![BU of 7xd8 by Molmil](/molmil-images/mine/7xd8) | Crystal Structure of Dengue Virus Serotype 2 (DENV2) Polymerase Elongation Complex (Native Form) | Descriptor: | GLYCEROL, NS5, RNA (30-mer), ... | Authors: | Wu, J, Wang, X, Gong, P. | Deposit date: | 2022-03-26 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases. Proc.Natl.Acad.Sci.USA, 120, 2023
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6FMV
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![BU of 6fmv by Molmil](/molmil-images/mine/6fmv) | IMISX-EP of Hg-BacA soaking SIRAS | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMX
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![BU of 6fmx by Molmil](/molmil-images/mine/6fmx) | IMISX-EP of W-PgpB | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphatidylglycerophosphatase B, TUNGSTATE(VI)ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FMR
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![BU of 6fmr by Molmil](/molmil-images/mine/6fmr) | IMISX-EP of Se-PepTSt | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-08-29 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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