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8B56
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BU of 8b56 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9
Descriptor: (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ...
Authors:Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P.
Deposit date:2022-09-21
Release date:2023-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
1B25
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BU of 1b25 by Molmil
FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE), TUNGSTOPTERIN
Authors:Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C.
Deposit date:1998-12-04
Release date:1999-03-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications.
J.Mol.Biol., 286, 1999
1B4N
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BU of 1b4n by Molmil
FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE
Descriptor: CALCIUM ION, FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE, GLUTARIC ACID, ...
Authors:Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C.
Deposit date:1998-12-24
Release date:1999-05-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications.
J.Mol.Biol., 286, 1999
3SO8
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BU of 3so8 by Molmil
Crystal Structure of ANKRA
Descriptor: Ankyrin repeat family A protein 2
Authors:Xu, C, Bochkarev, A, Bian, C.B, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3TRA
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BU of 3tra by Molmil
RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS
Descriptor: MAGNESIUM ION, TRNAASP
Authors:Westhof, E, Dumas, P, Moras, D.
Deposit date:1987-11-06
Release date:1987-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988
1A1D
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BU of 1a1d by Molmil
YEAST RNA POLYMERASE SUBUNIT RPB8, NMR, MINIMIZED AVERAGE STRUCTURE, ALPHA CARBONS ONLY
Descriptor: RNA POLYMERASE
Authors:Krapp, S, Kelly, G, Reischl, J, Weinzierl, R, Matthews, S.
Deposit date:1997-12-10
Release date:1999-03-02
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Eukaryotic RNA polymerase subunit RPB8 is a new relative of the OB family.
Nat.Struct.Biol., 5, 1998
1HMJ
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BU of 1hmj by Molmil
SOLUTION STRUCTURE OF RNA POLYMERASE SUBUNIT H
Descriptor: PROTEIN (SUBUNIT H)
Authors:Thiru, A, Hodach, M, Eloranta, J, Kostourou, V, Weinzierl, R.
Deposit date:1999-02-05
Release date:1999-04-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:RNA polymerase subunit H features a beta-ribbon motif within a novel fold that is present in archaea and eukaryotes.
J.Mol.Biol., 287, 1999
3M10
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BU of 3m10 by Molmil
Substrate-free form of Arginine Kinase
Descriptor: Arginine kinase, SULFATE ION
Authors:Yousef, M.S, Clark, S.A, Pruett, P.K, Somasundaram, T, Ellington, W.R, Chapman, M.S.
Deposit date:2010-03-03
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.
J.Mol.Biol., 405, 2011
8VKA
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BU of 8vka by Molmil
Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 9c
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors.
J.Med.Chem., 67, 2024
8VKB
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BU of 8vkb by Molmil
Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 10b
Descriptor: CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ...
Authors:Fenwick, M.K, Staker, B.L, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Exploring Subsite Selectivity within Plasmodium vivax N -Myristoyltransferase Using Pyrazole-Derived Inhibitors.
J.Med.Chem., 67, 2024
6VZZ
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BU of 6vzz by Molmil
Crystal structure of glucokinase from Balamuthia mandrillaris in complex with glucose
Descriptor: 1,2-ETHANEDIOL, BamaA.19900.a, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-02-28
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Characterization of Glucokinases from Pathogenic Free-Living Amoebae.
Antimicrob.Agents Chemother., 2022
7NDX
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BU of 7ndx by Molmil
Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC
Descriptor: 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC
Authors:Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M.
Deposit date:2021-02-02
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Mol.Cell, 82, 2022
6O55
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BU of 6o55 by Molmil
Crystal Structure of N5-carboxyaminoimidazole ribonucleotide mutase (PurE) from Legionella pneumophila
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-03-01
Release date:2019-03-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Discovery of N 5 -CAIR Mutase Inhibitors.
Biochemistry, 62, 2023
8TA0
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BU of 8ta0 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881
Descriptor: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-26
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8TBR
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BU of 8tbr by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758
Descriptor: 3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-29
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8TA1
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BU of 8ta1 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907
Descriptor: 3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, ACETATE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-26
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
5VCJ
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BU of 5vcj by Molmil
Structure of alpha-galactosylphytosphingosine bound by CD1d and in complex with the Va14Vb8.2 TCR
Descriptor: (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Wang, J, Zajonc, D.M.
Deposit date:2017-03-31
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Enhancing T cell responses and tumour immunity by vaccination with peptides conjugated to a weak NKT cell agonist.
Org. Biomol. Chem., 17, 2019
7DM2
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BU of 7dm2 by Molmil
crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170
Descriptor: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
Authors:Ma, B, Freund, N, Xiang, Y.
Deposit date:2020-12-01
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7DM1
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BU of 7dm1 by Molmil
crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
Descriptor: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
Authors:Ma, B, Freund, N, Xiang, Y.
Deposit date:2020-12-01
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
4LG6
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BU of 4lg6 by Molmil
Crystal structure of ANKRA2-CCDC8 complex
Descriptor: Ankyrin repeat family A protein 2, Coiled-coil domain-containing protein 8, UNKNOWN ATOM OR ION
Authors:Xu, C, Bian, C, Tempel, W, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ankyrin Repeats of ANKRA2 Recognize a PxLPxL Motif on the 3M Syndrome Protein CCDC8.
Structure, 23, 2015
1I38
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BU of 1i38 by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH DIHYDROTESTOSTERONE
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, ANDROGEN RECEPTOR
Authors:Sack, J.S.
Deposit date:2001-02-13
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I37
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BU of 1i37 by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH DIHYDROTESTOSTERONE
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, ANDROGEN RECEPTOR
Authors:Sack, J.S.
Deposit date:2001-02-13
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
4GRD
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BU of 4grd by Molmil
Crystal structure of Phosphoribosylaminoimidazole carboxylase catalytic subunit from Burkholderia cenocepacia J2315
Descriptor: Phosphoribosylaminoimidazole carboxylase catalytic subunit
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-24
Release date:2012-09-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Discovery of N 5 -CAIR Mutase Inhibitors.
Biochemistry, 62, 2023
6SAZ
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BU of 6saz by Molmil
Cleaved human fetuin-b in complex with crayfish astacin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ...
Authors:Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W.
Deposit date:2019-07-18
Release date:2019-10-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases.
Sci Rep, 9, 2019
2TRA
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BU of 2tra by Molmil
RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS
Descriptor: MAGNESIUM ION, SPERMINE, TRNAASP
Authors:Westhof, E, Dumas, P, Moras, D.
Deposit date:1987-11-06
Release date:1987-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988

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