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5KF9
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BU of 5kf9 by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with N-acetylglucosamine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
Authors:Dopkins, B.J, Thoden, J.B, Holden, H.M, Tipton, P.A.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
5KGJ
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BU of 5kgj by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with galactosamine
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-alpha-D-galactopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
Authors:Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M.
Deposit date:2016-06-13
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
5KGA
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BU of 5kga by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant D287N, in complex with N-acetylglucosamine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ...
Authors:Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M.
Deposit date:2016-06-13
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
1AXO
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BU of 1axo by Molmil
STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)
Authors:Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J.
Deposit date:1997-10-16
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
5NBW
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BU of 5nbw by Molmil
Crystal structure of the Fab fragment 22F12 in complex with 3-hydroxybenzo[a]pyrene
Descriptor: Fab 22F12 (A,B), Fab 22F12 (L,H), benzo[a]pyren-3-ol
Authors:Skerra, A, Eichinger, A.
Deposit date:2017-03-02
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.
Angew. Chem. Int. Ed. Engl., 56, 2017
7Z0N
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BU of 7z0n by Molmil
Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators
Descriptor: CALCIUM ION, GLYCEROL, IODIDE ION, ...
Authors:Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A.
Deposit date:2022-02-23
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
5L8Q
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BU of 5l8q by Molmil
Structure of deformed wing virus, a honeybee pathogen
Descriptor: URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ...
Authors:Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
Deposit date:2016-06-08
Release date:2017-03-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WTE
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BU of 5wte by Molmil
Cryo-EM structure for Hepatitis A virus full particle
Descriptor: VP1, VP2, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5L7Q
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BU of 5l7q by Molmil
Structure of deformed wing virus, a honeybee pathogen
Descriptor: VP1, vp2, vp3
Authors:Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
Deposit date:2016-06-03
Release date:2017-03-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1BO4
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BU of 1bo4 by Molmil
CRYSTAL STRUCTURE OF A GCN5-RELATED N-ACETYLTRANSFERASE: SERRATIA MARESCENS AMINOGLYCOSIDE 3-N-ACETYLTRANSFERASE
Descriptor: COENZYME A, PROTEIN (SERRATIA MARCESCENS AMINOGLYCOSIDE-3-N-ACETYLTRANSFERASE), SPERMIDINE
Authors:Wolf, E, Vassilev, A, Makino, Y, Sali, A, Nakatani, Y, Burley, S.K.
Deposit date:1998-08-08
Release date:1998-10-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a GCN5-related N-acetyltransferase: Serratia marcescens aminoglycoside 3-N-acetyltransferase.
Cell(Cambridge,Mass.), 94, 1998
5WTH
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BU of 5wth by Molmil
Cryo-EM structure for Hepatitis A virus complexed with FAB
Descriptor: FAB Heavy Chain, FAB Light Chain, Polyprotein, ...
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-12
Release date:2017-01-25
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1BZQ
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BU of 1bzq by Molmil
COMPLEX OF A DROMEDARY SINGLE-DOMAIN VHH ANTIBODY FRAGMENT WITH RNASE A
Descriptor: PHOSPHATE ION, PROTEIN (ANTIBODY CAB-RN05), PROTEIN (RNASE A)
Authors:Decanniere, K, Desmyter, A, Gahroudhi, M, Lauwereys, M, Muyldermans, S, Wyns, L.
Deposit date:1998-11-03
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A single-domain antibody fragment in complex with RNase A: non-canonical loop structures and nanomolar affinity using two CDR loops.
Structure Fold.Des., 7, 1999
7ZW8
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BU of 7zw8 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
5MKK
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BU of 5mkk by Molmil
Crystal structure of the heterodimeric ABC transporter TmrAB, a homolog of the antigen translocation complex TAP
Descriptor: Multidrug resistance ABC transporter ATP-binding and permease protein, SULFATE ION
Authors:Noell, A, Thomas, C, Tomasiak, T.M, Olieric, V, Wang, M, Diederichs, K, Stroud, R.M, Pos, K.M, Tampe, R.
Deposit date:2016-12-05
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VB2
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BU of 5vb2 by Molmil
Crystal structure of the NavAb voltage-gated sodium channel in a closed conformation
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Lenaeus, M.J, Catterall, W.A.
Deposit date:2017-03-28
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of closed and open states of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1AXV
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BU of 1axv by Molmil
SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG)
Authors:Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J.
Deposit date:1997-10-21
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
6TU5
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BU of 6tu5 by Molmil
Influenza A/H7N9 polymerase core (apo)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Cusack, S, Pflug, A.
Deposit date:2020-01-02
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.325 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
5FVJ
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BU of 5fvj by Molmil
Crystal structure of TacT (tRNA acetylating toxin) from Salmonella
Descriptor: ACETYL COENZYME *A, PUTATIVE ACETYLTRANSFERASE
Authors:Przydacz, M, Wong, C.T, Cheverton, A.M, Gollan, B, Mylona, A, Helaine, S, Hare, S.A.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Salmonella Toxin Promotes Persister Formation Through Acetylation of tRNA.
Mol.Cell, 63, 2016
8B2N
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BU of 8b2n by Molmil
Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12
Descriptor: CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ...
Authors:Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8B2M
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BU of 8b2m by Molmil
Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia
Descriptor: NICKEL (II) ION, Tannerella forsythia Potempin A (PotA)
Authors:Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8B2Q
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BU of 8b2q by Molmil
Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
5V4S
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BU of 5v4s by Molmil
CryoEM Structure of a Prokaryotic Cyclic Nucleotide-Gated Ion Channel
Descriptor: Transporter, cation channel family / cyclic nucleotide-binding domain multi-domain protein
Authors:James, Z.M, Borst, A.J, Haitin, Y, Frenz, B, DiMaio, F, Zagotta, W.N, Veesler, D.
Deposit date:2017-03-10
Release date:2017-04-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CryoEM structure of a prokaryotic cyclic nucleotide-gated ion channel.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6DCF
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BU of 6dcf by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A
Descriptor: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
Authors:Lilic, M, Darst, S.A, Campbell, E.A.
Deposit date:2018-05-06
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
5WTF
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BU of 5wtf by Molmil
Cryo-EM structure for Hepatitis A virus empty particle
Descriptor: VP0, VP1, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FBE
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BU of 6fbe by Molmil
KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the third primer nucleotide.
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*GP*GP*TP*GP*CP*GP*TP*GP*GP*TP*C)-3'), ...
Authors:Kropp, H.M, Diederichs, K, Marx, A.
Deposit date:2017-12-19
Release date:2018-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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