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8ER5
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BU of 8er5 by Molmil
Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NlpC/P60 domain-containing protein, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-10-11
Release date:2023-10-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448.
To Be Published
1EYP
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BU of 1eyp by Molmil
CHALCONE ISOMERASE
Descriptor: CHALCONE-FLAVONONE ISOMERASE 1
Authors:Jez, J.M, Bowman, M.E, Dixon, R.A, Noel, J.P.
Deposit date:2000-05-08
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of the evolutionarily unique plant enzyme chalcone isomerase.
Nat.Struct.Biol., 7, 2000
7NT4
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BU of 7nt4 by Molmil
X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ...
Authors:Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M.
Deposit date:2021-03-09
Release date:2022-02-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-25
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
1ECN
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BU of 1ecn by Molmil
STRUCTURE OF ERYTHROCRUORIN IN DIFFERENT LIGAND STATES REFINED AT 1.4 ANGSTROMS RESOLUTION
Descriptor: CYANIDE ION, ERYTHROCRUORIN (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Steigemann, W, Weber, E.
Deposit date:1979-03-07
Release date:1979-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of erythrocruorin in different ligand states refined at 1.4 A resolution.
J.Mol.Biol., 127, 1979
1E65
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BU of 1e65 by Molmil
Azurin from Pseudomonas aeruginosa, apo form
Descriptor: AZURIN
Authors:Nar, H, Messerschmidt, A.
Deposit date:2000-08-08
Release date:2000-08-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Pseudomonas Aeruginosa Apo-Azurin at 1.85 A Resolution.
FEBS Lett., 306, 1992
1E4S
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BU of 1e4s by Molmil
Solution structure of the human defensin hBD-1
Descriptor: BETA-DEFENSIN 1
Authors:Bauer, F, Schweimer, K, Kluver, E, Adermann, K, Forssmann, W.G, Roesch, P, Sticht, H.
Deposit date:2000-07-12
Release date:2001-07-12
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Structure Determination of Human and Murine Beta-Defensins Reveals Structural Conservation in the Absence of Significant Sequence Similarity
Protein Sci., 10, 2001
8OQX
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BU of 8oqx by Molmil
Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue
Descriptor: 1,2-ETHANEDIOL, ATPase, DI(HYDROXYETHYL)ETHER, ...
Authors:Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
303D
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BU of 303d by Molmil
META-HYDROXY ANALOGUE OF HOECHST 33258 ('HYDROXYL OUT' CONFORMATION) BOUND TO D(CGCGAATTCGCG)2
Descriptor: 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Clark, G.R, Squire, C.J, Gray, E.J, Leupin, W, Neidle, S.
Deposit date:1996-06-26
Release date:1997-01-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Designer DNA-binding drugs: the crystal structure of a meta-hydroxy analogue of Hoechst 33258 bound to d(CGCGAATTCGCG)2.
Nucleic Acids Res., 24, 1996
1F23
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BU of 1f23 by Molmil
CONTRIBUTION OF A BURIED HYDROGEN BOND TO HIV-1 ENVELOPE GLYCOPROTEIN STRUCTURE AND FUNCTION
Descriptor: TRANSMEMBRANE GLYCOPROTEIN
Authors:Liu, J, Shu, W, Fagan, M, Nunberg, J.H, Lu, M.
Deposit date:2000-05-23
Release date:2001-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional analysis of the HIV gp41 core containing an Ile573 to Thr substitution: implications for membrane fusion.
Biochemistry, 40, 2001
7O9Y
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BU of 7o9y by Molmil
Crystal structure of di-phosphorylated human CLK1 in complex with 4-(1H-indol-3-yl)pyrimidin-2-amine
Descriptor: 4-(1~{H}-indol-3-yl)pyrimidin-2-amine, Dual specificity protein kinase CLK1
Authors:Livnah, O, Domovich, Y, Bracher, F, Aiger, C.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development of novel CLK1 inhibitors as potential drugs for treatment of Chikungunya virus infections
To Be Published
1F0T
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BU of 1f0t by Molmil
BOVINE TRYPSIN COMPLEXED WITH RPR131247
Descriptor: 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V.
Deposit date:2000-05-17
Release date:2000-09-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
1F0S
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BU of 1f0s by Molmil
Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707
Descriptor: CALCIUM ION, COAGULATION FACTOR XA, THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
Authors:Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V.
Deposit date:2000-05-17
Release date:2000-09-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
8G0T
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BU of 8g0t by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-02-01
Release date:2023-02-15
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery and mechanism of a highly selective, antifungal acetyl-CoA synthetase inhibitor.
Nat Commun, 16, 2025
7O9T
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BU of 7o9t by Molmil
Crystal structure of Human Menin in apo form
Descriptor: 1,2-ETHANEDIOL, Menin
Authors:Groves, M.R, Gao, K.
Deposit date:2021-04-17
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Crystal structure of Human Menin in apo form
To Be Published
6N36
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BU of 6n36 by Molmil
Beta-lactamase from Chitinophaga pinensis
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, ZINC ION
Authors:Osipiuk, J, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Beta-lactamase from Chitinophaga pinensis
to be published
7OAS
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BU of 7oas by Molmil
Structural basis for targeted p97 remodeling by ASPL as prerequisite for p97 trimethylation by METTL21D
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-L-methionine-dependent methyltransferases superfamily protein
Authors:Petrovic, S, Heinemann, U, Roske, Y.
Deposit date:2021-04-20
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FEY
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BU of 8fey by Molmil
Solution structure of Pmu1a
Descriptor: Pmu1a toxin
Authors:Daly, N.L, Wilson, D.T.
Deposit date:2022-12-07
Release date:2023-03-29
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Pmu1a, a novel spider toxin with dual inhibitory activity at pain targets hNa V 1.7 and hCa V 3 voltage-gated channels.
Febs J., 290, 2023
8OKH
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BU of 8okh by Molmil
Crystal structure of Bdellovibrio bacteriovorus Bd1399
Descriptor: 1,2-ETHANEDIOL, DUF2807 domain-containing protein, GLYCEROL
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-03-28
Release date:2023-10-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
1F5W
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BU of 1f5w by Molmil
DIMERIC STRUCTURE OF THE COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR D1 DOMAIN
Descriptor: COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR, SULFATE ION
Authors:van Raaij, M.J, Chouin, E, van der Zandt, H, Bergelson, J.M, Cusack, S.
Deposit date:2000-06-18
Release date:2000-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dimeric structure of the coxsackievirus and adenovirus receptor D1 domain at 1.7 A resolution.
Structure Fold.Des., 8, 2000
8P52
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BU of 8p52 by Molmil
Photorhabdus luminescens Makes caterpillars floppy (Mcf) toxin
Descriptor: Toxin protein
Authors:Belyy, A, Heilen, P, Hofnagel, O, Raunser, S.
Deposit date:2023-05-23
Release date:2023-11-01
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and activation mechanism of the Makes caterpillars floppy 1 toxin.
Nat Commun, 14, 2023
7P36
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BU of 7p36 by Molmil
X-ray structure of Lactobacillus kefir alcohol dehydrogenase (wild type)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D.
Deposit date:2021-07-07
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021
1F6B
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BU of 1f6b by Molmil
CRYSTAL STRUCTURE OF SAR1-GDP COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SAR1, ...
Authors:Huang, M, Wilson, I.A, Balch, W.E.
Deposit date:2000-06-21
Release date:2002-01-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Sar1-GDP at 1.7 A resolution and the role of the NH2 terminus in ER export.
J.Cell Biol., 155, 2001
7QDI
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BU of 7qdi by Molmil
Structure of octameric left-handed 310-helix bundle: D-310HD
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2021-11-27
Release date:2022-04-27
Last modified:2022-07-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
7P7Y
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BU of 7p7y by Molmil
X-ray structure of Lactobacillus kefir alcohol dehydrogenase mutant Q126K
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D.
Deposit date:2021-07-21
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Transfer of a Rational Crystal Contact Engineering Strategy between Diverse Alcohol Dehydrogenases
Crystals, 11, 2021

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