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2M8W
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BU of 2m8w by Molmil
Restrained CS-Rosetta Solution NMR Structure of Staphylococcus aureus protein SAV1430. Northeast Structural Genomics Target ZR18. Structure determination
Descriptor: Uncharacterized protein
Authors:Mao, B, Tejero, R.T, Aramini, J.M, Snyder, D.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-29
Release date:2013-08-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PDBStat: a universal restraint converter and restraint analysis software package for protein NMR.
J.Biomol.Nmr, 56, 2013
2GLS
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BU of 2gls by Molmil
REFINED ATOMIC MODEL OF GLUTAMINE SYNTHETASE AT 3.5 ANGSTROMS RESOLUTION
Descriptor: GLUTAMINE SYNTHETASE, MANGANESE (II) ION
Authors:Eisenberg, D, Almassy, R.J, Yamashita, M.M.
Deposit date:1989-05-19
Release date:1989-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Refined atomic model of glutamine synthetase at 3.5 A resolution.
J.Biol.Chem., 264, 1989
7KE0
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BU of 7ke0 by Molmil
HIV-1 Integrase catalytic core domain complexed with allosteric inhibitor STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2020-10-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A highly potent and safe pyrrolopyridine-based allosteric HIV-1 integrase inhibitor targeting host LEDGF/p75-integrase interaction site.
Plos Pathog., 17, 2021
7ARQ
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BU of 7arq by Molmil
Cryo EM of 3D DNA origami 16 helix bundle
Descriptor: SCAFFOLD STRAND, STAPLE STRAND
Authors:Feigl, E, Kube, M, Kohler, F.
Deposit date:2020-10-26
Release date:2020-11-18
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
7SZ0
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BU of 7sz0 by Molmil
Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation
Descriptor: Epidermal growth factor, Epidermal growth factor receptor
Authors:Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J.
Deposit date:2021-11-25
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
7PEJ
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BU of 7pej by Molmil
Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
Descriptor: ACETATE ION, PHOSPHATE ION, SULFATE ION, ...
Authors:Romero-Romero, S, Garza-Ramos, G.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
To Be Published
7T4X
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BU of 7t4x by Molmil
AKT1 K+ channel from A. thaliana in MSP2N2 lipid nanodisc
Descriptor: PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1
Authors:Dickinson, M.S, Pourmal, S.
Deposit date:2021-12-10
Release date:2021-12-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Symmetry Reduction in a Hyperpolarization-Activated Homotetrameric Ion Channel.
Biochemistry, 61, 2022
2MEG
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BU of 2meg by Molmil
CHANGES IN CONFORMATIONAL STABILITY OF A SERIES OF MUTANT HUMAN LYSOZYMES AT CONSTANT POSITIONS.
Descriptor: LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:1998-05-02
Release date:1998-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of amino acid substitutions at two different interior positions to the conformational stability of human lysozyme
Protein Eng., 12, 1999
7E83
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BU of 7e83 by Molmil
CryoEM structure of the human Kv4.2-KChIP1 complex, intracellular region
Descriptor: Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 2
Authors:Kise, Y, Nureki, O.
Deposit date:2021-02-28
Release date:2021-10-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
7PXI
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BU of 7pxi by Molmil
X-ray structure of LPMO at 7.88x10^3 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
Descriptor: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7B53
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BU of 7b53 by Molmil
Crystal structure of MurE from E.coli
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of MurE from E.coli
To Be Published
7EEA
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BU of 7eea by Molmil
Cyanophage Pam1 tailspike receptor-binding domain
Descriptor: Short-tailed cyanophage tailspike receptor-binding domain
Authors:Zhang, J.T, Jiang, Y.L, Zhou, C.Z.
Deposit date:2021-03-18
Release date:2021-10-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.671 Å)
Cite:Structure and assembly pattern of a freshwater short-tailed cyanophage Pam1.
Structure, 30, 2022
7K9N
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BU of 7k9n by Molmil
Co-crystal structure of alpha glucosidase with compound 2
Descriptor: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ...
Authors:Karade, S.S, Mariuzza, R.A.
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
7B81
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BU of 7b81 by Molmil
Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase (NAD bound-form)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase/reductase SDR
Authors:Yoshiwara, K, Watanabe, Y, Watanabe, S.
Deposit date:2020-12-12
Release date:2021-02-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Crystal structure of l-rhamnose 1-dehydrogenase involved in the nonphosphorylative pathway of l-rhamnose metabolism in bacteria.
Febs Lett., 595, 2021
7EKQ
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BU of 7ekq by Molmil
CrClpP-S2c
Descriptor: ATP-dependent Clp protease ATP-binding subunit CLPT4, chloroplastic, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Wang, N, Wang, Y.F, Cong, Y, Liu, C.M.
Deposit date:2021-04-06
Release date:2021-10-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The cryo-EM structure of the chloroplast ClpP complex.
Nat.Plants, 7, 2021
7E84
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BU of 7e84 by Molmil
CryoEM structure of human Kv4.2-KChIP1 complex
Descriptor: Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 2
Authors:Kise, Y, Nureki, O.
Deposit date:2021-02-28
Release date:2021-10-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
7EFT
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BU of 7eft by Molmil
Crystal structure of cell shape-determining protein MreC
Descriptor: CHLORIDE ION, Cell shape protein MreC
Authors:Xu, Q, Xiao, Q.J, Sun, B.
Deposit date:2021-03-23
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of MreC provides insights into polymer formation.
Febs Open Bio, 12, 2022
7AV9
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BU of 7av9 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-11-04
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
2ZWE
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BU of 2zwe by Molmil
Crystal structure of the copper-bound tyrosinase in complex with a caddie protein from streptomyces castaneoglobisporus obtained by soaking the deoxy-form crystal in dioxygen-saturated solution for 40 minutes
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2008-12-03
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallographic evidence of drastic movement of a copper ion toward the substrate tyrosine for starting hydroxylation reaction of tyrosinase
To be Published
7AIG
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BU of 7aig by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
Descriptor: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
Authors:Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
Deposit date:2020-09-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7E1V
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BU of 7e1v by Molmil
Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ...
Authors:Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
Deposit date:2021-02-03
Release date:2021-10-13
Last modified:2022-07-27
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7T9K
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BU of 7t9k by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein in complex with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S.
Deposit date:2021-12-19
Release date:2021-12-29
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex.
Science, 375, 2022
7SY5
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BU of 7sy5 by Molmil
Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417N mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
Deposit date:2021-11-24
Release date:2021-12-29
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021

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