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1CKQ
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BU of 1ckq by Molmil
PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAATTCGCG) COMPLEX
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ENDONUCLEASE)
Authors:Horvath, M, Rosenberg, J.M.
Deposit date:1999-04-22
Release date:1999-04-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Integration of Recognition and Cleavage: X-Ray Structures of Pre- Transition State and Post-Reactive DNA-Eco Ri Endonuclease Complexes
To be Published
1CL8
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BU of 1cl8 by Molmil
A PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAPTTCGCG) COMPLEX WITH DNA BASE ANALOG PURINE (P)
Descriptor: DNA (5'-D(*TP*CP*GP*CP*GP*AP*(PRN)P*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ENDONUCLEASE)
Authors:Horvath, M, Rosenberg, J.M.
Deposit date:1999-05-06
Release date:1999-05-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iap (Inner-Adenine to Purine): A Cognate EcoRI-DNA Base Analog Complex
To be Published
1CPU
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BU of 1cpu by Molmil
SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ...
Authors:Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
2DIK
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BU of 2dik by Molmil
R337A MUTANT OF PYRUVATE PHOSPHATE DIKINASE
Descriptor: PROTEIN (PYRUVATE PHOSPHATE DIKINASE), SULFATE ION
Authors:Huang, K, Herzberg, O.
Deposit date:1998-09-03
Release date:1999-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Location of the phosphate binding site within Clostridium symbiosum pyruvate phosphate dikinase.
Biochemistry, 37, 1998
4E6A
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BU of 4e6a by Molmil
p38a-PIA23 complex
Descriptor: (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14
Authors:Livnah, O, Tzarum, N, Eisenberg-Domovich, Y.
Deposit date:2012-03-15
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
2MUB
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BU of 2mub by Molmil
Solution structure of the analgesic sea anemone peptide APETx2
Descriptor: Toxin APETx2
Authors:Mobli, M, King, G.F, Rosengren, K.J, Jensen, J.E.
Deposit date:2014-09-07
Release date:2014-12-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Understanding the Molecular Basis of Toxin Promiscuity: The Analgesic Sea Anemone Peptide APETx2 Interacts with Acid-Sensing Ion Channel 3 and hERG Channels via Overlapping Pharmacophores.
J.Med.Chem., 57, 2014
1CM0
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BU of 1cm0 by Molmil
CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX
Descriptor: COENZYME A, P300/CBP ASSOCIATING FACTOR
Authors:Clements, A, Rojas, J.R, Trievel, R.C, Wang, L, Berger, S.L, Marmorstein, R.
Deposit date:1999-05-12
Release date:1999-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the histone acetyltransferase domain of the human PCAF transcriptional regulator bound to coenzyme A.
EMBO J., 18, 1999
2MUN
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BU of 2mun by Molmil
Solution structure of mu-SLPTX3-Ssm6a
Descriptor: Mu-scoloptoxin-Ssm6a
Authors:Undheim, E.A.B, King, G.F, Mobli, M.
Deposit date:2014-09-13
Release date:2015-06-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators.
Structure, 23, 2015
2N81
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BU of 2n81 by Molmil
Solution Structure of Lipid Transfer Protein From Pea Pisum Sativum
Descriptor: Lipid Transfer Protein
Authors:Paramonov, A.S, Rumynskiy, E.I, Bogdanov, I.V, Finkina, E.I, Melnikova, D.N, Ovchinnikova, T.V, Shenkarev, Z.O, Arseniev, A.S.
Deposit date:2015-09-30
Release date:2016-05-11
Last modified:2017-12-20
Method:SOLUTION NMR
Cite:A novel lipid transfer protein from the pea Pisum sativum: isolation, recombinant expression, solution structure, antifungal activity, lipid binding, and allergenic properties.
BMC Plant Biol, 16
1CVJ
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BU of 1cvj by Molmil
X-RAY CRYSTAL STRUCTURE OF THE POLY(A)-BINDING PROTEIN IN COMPLEX WITH POLYADENYLATE RNA
Descriptor: 5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3', ADENOSINE MONOPHOSPHATE, POLYADENYLATE BINDING PROTEIN 1
Authors:Deo, R.C, Bonanno, J.B, Sonenberg, N, Burley, S.K.
Deposit date:1999-08-23
Release date:1999-10-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Recognition of polyadenylate RNA by the poly(A)-binding protein.
Cell(Cambridge,Mass.), 98, 1999
1KGG
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BU of 1kgg by Molmil
STRUCTURE OF BETA-LACTAMASE GLU166GLN:ASN170ASP MUTANT
Descriptor: PROTEIN (BETA-LACTAMASE), SULFATE ION
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Relocation of the catalytic carboxylate group in class A beta-lactamase: the structure and function of the mutant enzyme Glu166-->Gln:Asn170-->Asp.
Protein Eng., 12, 1999
1D3Y
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BU of 1d3y by Molmil
STRUCTURE OF THE DNA TOPOISOMERASE VI A SUBUNIT
Descriptor: DNA TOPOISOMERASE VI A SUBUNIT, MAGNESIUM ION, SODIUM ION
Authors:Nichols, M.D, DeAngelis, K.A, Keck, J.L, Berger, J.M.
Deposit date:1999-10-01
Release date:1999-11-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of an archaeal topoisomerase VI subunit with homology to the meiotic recombination factor Spo11.
EMBO J., 18, 1999
5W4K
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BU of 5w4k by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S.
Deposit date:2017-06-12
Release date:2017-08-30
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel.
Nat. Chem. Biol., 13, 2017
7OP3
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BU of 7op3 by Molmil
Cryo-EM structure of P5B-ATPase E2PiSPM
Descriptor: Cation-transporting ATPase, SPERMINE
Authors:Li, P, Gronberg, C, Wang, K.T, Salustros, N, Gourdon, P.E.
Deposit date:2021-05-28
Release date:2021-06-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and transport mechanism of P5B-ATPases.
Nat Commun, 12, 2021
1D5Y
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BU of 1d5y by Molmil
CRYSTAL STRUCTURE OF THE E. COLI ROB TRANSCRIPTION FACTOR IN COMPLEX WITH DNA
Descriptor: DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*CP*AP*TP*TP*CP*AP*GP*TP*GP*CP*TP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*CP*AP*GP*CP*AP*CP*TP*GP*AP*AP*TP*GP*TP*CP*AP*AP*AP*G)-3'), ROB TRANSCRIPTION FACTOR
Authors:Kwon, H.J, Bennik, M.H.J, Demple, B, Ellenberger, T.
Deposit date:1999-10-12
Release date:2000-04-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Escherichia coli Rob transcription factor in complex with DNA.
Nat.Struct.Biol., 7, 2000
7ONY
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BU of 7ony by Molmil
Crystal structure of PBP3 from P. aeruginosa
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONO
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BU of 7ono by Molmil
Crystal structure of PBP3 transpeptidase domain from E. coli
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, trimethylamine oxide
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-25
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONK
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BU of 7onk by Molmil
Crystal structure of PBP3 from P. aeruginosa in complex with AIC499
Descriptor: (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-25
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONX
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BU of 7onx by Molmil
Crystal structure of PBP3 from P. aeruginosa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONZ
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BU of 7onz by Molmil
Crystal structure of PBP3 from P. aeruginosa
Descriptor: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONW
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BU of 7onw by Molmil
Crystal structure of PBP3 from E. coli in complex with AIC499
Descriptor: (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ...
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
7ONN
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BU of 7onn by Molmil
Crystal structure of PBP3 transpeptidase domain from E. coli in complex with AIC499
Descriptor: (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid, DODECAETHYLENE GLYCOL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Freischem, S, Grimm, I, Weiergraeber, O.H.
Deposit date:2021-05-25
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria.
Biomolecules, 11, 2021
8AEU
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BU of 8aeu by Molmil
Structure of hMDM2 in complex with Nutlin-3a-aa
Descriptor: 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2
Authors:Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T.
Deposit date:2022-07-13
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023
1CQN
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BU of 1cqn by Molmil
PROTEIN AGGREGATION AND ALZHEIMER'S DISEASE: CRYSTALLOGRAPHIC ANALYSIS OF THE PHENOMENON. ENGINEERED VERSION OF THE RIBOSOMAL PROTEIN S6 USED AS A STABLE SCAFFOLD TO STUDY OLIGOMERIZATION.
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Kristensen, O, Otzen, D.E, Oliveberg, M.
Deposit date:1999-08-08
Release date:2000-09-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Designed protein tetramer zipped together with a hydrophobic Alzheimer homology: a structural clue to amyloid assembly.
Proc.Natl.Acad.Sci.USA, 97, 2000

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