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4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
3TX8
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BU of 3tx8 by Molmil
Crystal structure of a succinyl-diaminopimelate desuccinylase (ArgE) from Corynebacterium glutamicum ATCC 13032 at 2.97 A resolution
Descriptor: CHLORIDE ION, PHOSPHATE ION, Succinyl-diaminopimelate desuccinylase
Authors:Joint Center for Structural Genomics (JCSG), Brunger, A.T, Terwilliger, T.C, Read, R.J, Adams, P.D, Levitt, M, Schroder, G.F.
Deposit date:2011-09-22
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Application of DEN refinement and automated model building to a difficult case of molecular-replacement phasing: the structure of a putative succinyl-diaminopimelate desuccinylase from Corynebacterium glutamicum.
Acta Crystallogr.,Sect.D, 68, 2012
1BAF
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BU of 1baf by Molmil
2.9 ANGSTROMS RESOLUTION STRUCTURE OF AN ANTI-DINITROPHENYL-SPIN-LABEL MONOCLONAL ANTIBODY FAB FRAGMENT WITH BOUND HAPTEN
Descriptor: IGG1-KAPPA AN02 FAB (HEAVY CHAIN), IGG1-KAPPA AN02 FAB (LIGHT CHAIN), N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
Authors:Leahy, D.J, Brunger, A.T, Fox, R.O, Hynes, T.R.
Deposit date:1992-01-16
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2.9 A resolution structure of an anti-dinitrophenyl-spin-label monoclonal antibody Fab fragment with bound hapten.
J.Mol.Biol., 221, 1991
2ISG
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BU of 2isg by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form B
Descriptor: NICKEL (II) ION, Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISH
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BU of 2ish by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form C
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISE
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BU of 2ise by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form A
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
4WMG
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BU of 4wmg by Molmil
Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A)
Descriptor: Lysozyme C
Authors:Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M.
Deposit date:2014-10-08
Release date:2015-04-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array.
Acta Crystallogr.,Sect.D, 71, 2015
2BZA
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BU of 2bza by Molmil
BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE
Descriptor: BENZYLAMINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T.
Deposit date:1999-03-16
Release date:1999-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Proteins, 37, 1999
1SFC
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BU of 1sfc by Molmil
NEURONAL SYNAPTIC FUSION COMPLEX
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PROTEIN (SNAP-25B), PROTEIN (SYNAPTOBREVIN 2), ...
Authors:Sutton, R.B, Brunger, A.T.
Deposit date:1998-08-24
Release date:1998-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a SNARE complex involved in synaptic exocytosis at 2.4 A resolution.
Nature, 395, 1998
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-05-24
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
8FA1
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BU of 8fa1 by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with N969K mutation
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FA2
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BU of 8fa2 by Molmil
Cryo-EM structure of the SARS-CoV-2 Omicron HR1-42G complex
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' 42G
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
3CF0
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BU of 3cf0 by Molmil
Structure of D2 subdomain of P97/VCP in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Davies, J.M, Brunger, A.T, Weis, W.I.
Deposit date:2008-03-01
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Improved Structures of Full-Length p97, an AAA ATPase: Implications for Mechanisms of Nucleotide-Dependent Conformational Change.
Structure, 16, 2008
7TIK
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BU of 7tik by Molmil
Structure of the SARS-CoV-2 Omicron spike post-fusion bundle
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-01-13
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
5W5D
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BU of 5w5d by Molmil
Crystal structure of the primed SNARE-Complexin-Synaptotagmin-1 C2B complex
Descriptor: Complexin-1, MAGNESIUM ION, Synaptosomal-associated protein 25, ...
Authors:Zhou, Q, Brunger, A.T.
Deposit date:2017-06-14
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:The primed SNARE-complexin-synaptotagmin complex for neuronal exocytosis.
Nature, 548, 2017
5W5C
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BU of 5w5c by Molmil
Crystal structure of the primed SNARE-Complexin-Synaptotagmin-1 C2AB complex
Descriptor: Complexin-1, GLYCEROL, MAGNESIUM ION, ...
Authors:Zhou, Q, Brunger, A.T.
Deposit date:2017-06-14
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The primed SNARE-complexin-synaptotagmin complex for neuronal exocytosis.
Nature, 548, 2017
6PNP
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BU of 6pnp by Molmil
Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1
Descriptor: Neurexin-1, Neurexophilin-1
Authors:Wilson, S.C, White, K.I, Zhou, Q, Brunger, A.T.
Deposit date:2019-07-02
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing.
Embo J., 38, 2019
6PNQ
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BU of 6pnq by Molmil
Crystal structure of the SS2A splice insert-containing neurexin-1 LNS2 domain in complex with neurexophilin-1
Descriptor: Neurexin-1, Neurexophilin-1
Authors:Wilson, S.C, White, K.I, Zhou, Q, Brunger, A.T.
Deposit date:2019-07-02
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing.
Embo J., 38, 2019
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:2023-10-04
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
6WVW
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BU of 6wvw by Molmil
Crystal structure of the R59P-SNAP25 containing SNARE complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Synaptosomal-associated protein 25, ...
Authors:Zhou, Q, White, K.I, Brunger, A.T.
Deposit date:2020-05-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Role of Aberrant Spontaneous Neurotransmission in SNAP25-Associated Encephalopathies.
Neuron, 109, 2021
5KJ8
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BU of 5kj8 by Molmil
Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction
Descriptor: CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
Authors:Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T.
Deposit date:2016-06-17
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Elife, 5, 2016
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
Descriptor: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
Descriptor: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
Descriptor: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022

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