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6V4O
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BU of 6v4o by Molmil
Structure of human 2E01 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
7P4L
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BU of 7p4l by Molmil
Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1)
Descriptor: CALCIUM ION, CHLORIDE ION, Fusexin1, ...
Authors:Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L.
Deposit date:2021-07-12
Release date:2022-07-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
5K0F
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BU of 5k0f by Molmil
Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ...
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
1VQ4
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BU of 1vq4 by Molmil
The structure of the transition state analogue "DAA" bound to the large ribosomal subunit of Haloarcula marismortui
Descriptor: 23S ribosomal rna, 5'-R(*CP*CP*(5AA)P*(2OP)P*(PO2)P*(DA)P*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
Authors:Schmeing, T.M, Steitz, T.A.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
4IQL
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BU of 4iql by Molmil
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
Descriptor: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Hevener, K.E, Santarsiero, B.D, Su, P.-C, Boci, T, Truong, K, Johnson, M.E, Mehboob, S.
Deposit date:2013-01-11
Release date:2014-01-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
4C3Y
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BU of 4c3y by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione
Descriptor: 3-KETOSTEROID DEHYDROGENASE, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W.
Deposit date:2013-08-28
Release date:2013-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism
J.Biol.Chem., 288, 2013
5JCB
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BU of 5jcb by Molmil
Microtubule depolymerizing agent podophyllotoxin derivative YJTSF1
Descriptor: (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Guan, Z, Zhao, W, Yin, P.
Deposit date:2016-04-14
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4 beta-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.
ACS Chem. Biol., 12, 2017
5NEF
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BU of 5nef by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with guanidine
Descriptor: GUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ...
Authors:Huang, L, Wang, J, Lilley, D.M.J.
Deposit date:2017-03-10
Release date:2017-06-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
1VQ5
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BU of 1vq5 by Molmil
The structure of the transition state analogue "RAA" bound to the large ribosomal subunit of haloarcula marismortui
Descriptor: 23S ribosomal rna, 5'-D(*(DC)P*(DC)P*(5AA)P*(2OP)P*(PO2)P*AP*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
Authors:Schmeing, T.M, Steitz, T.A.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
1VQ6
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BU of 1vq6 by Molmil
The structure of c-hpmn and CCA-PHE-CAP-BIO bound to the large ribosomal subunit of haloarcula marismortui
Descriptor: 23S ribosomal rna, 5'-R(*CP*(5AA)*(HFA))-3', 5'-R(*CP*CP*AP*(PHE)*(ACA)*(BTN))-3', ...
Authors:Schmeing, T.M, Steitz, T.A.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An induced-fit mechanism to promote peptide bond formation and exclude hydrolysis of peptidyl-tRNA.
Nature, 438, 2005
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
5J0T
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BU of 5j0t by Molmil
Binary complex crystal structure of DNA polymerase Beta with G:A mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
1VQ7
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BU of 1vq7 by Molmil
The structure of the transition state analogue "DCA" bound to the large ribosomal subunit of haloarcula marismortui
Descriptor: 23S ribosomal rna, 5'-R(*CP*CP*(5AA)P*(2OP)P*(PAE)P*AP*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
Authors:Schmeing, T.M, Steitz, T.A.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An induced-fit mechanism to promote peptide bond formation and exclude hydrolysis of peptidyl-tRNA.
Nature, 438, 2005
5CZZ
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BU of 5czz by Molmil
Crystal structure of Staphylococcus aureus Cas9 in complex with sgRNA and target DNA (TTGAAT PAM)
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, DNA (28-MER), ...
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2015-08-01
Release date:2015-09-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Staphylococcus aureus Cas9.
Cell, 162, 2015
4LCY
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BU of 4lcy by Molmil
Crystal structure of HLA-b46 at 1.6 angstrom resolution
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-46 alpha chain, ...
Authors:Liu, J.X.
Deposit date:2013-06-24
Release date:2014-06-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Analysis of the Human Leukocyte Antigen B*46:01
To be Published
6FKX
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BU of 6fkx by Molmil
Crystal structure of an acetyl xylan esterase from a desert metagenome
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl xylan esterase, FORMIC ACID, ...
Authors:Adesioye, F.A, Makhalanyane, T.P, Vikram, S, Sewell, B.T, Schubert, W, Cowan, D.A.
Deposit date:2018-01-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Characterization and Directed Evolution of a Novel Acetyl Xylan Esterase Reveals Thermostability Determinants of the Carbohydrate Esterase 7 Family.
Appl. Environ. Microbiol., 84, 2018
4LFX
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BU of 4lfx by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-06-27
Release date:2013-10-02
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
3K3A
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BU of 3k3a by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
6FXJ
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BU of 6fxj by Molmil
Structure of coproheme decarboxylase from Listeria monocytogenes in complex with iron coproporphyrin III
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, CHLORIDE ION, N-PROPANOL, ...
Authors:Hofbauer, S, Pfanzagl, V, Mlynek, G.
Deposit date:2018-03-09
Release date:2019-07-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
4LFP
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BU of 4lfp by Molmil
X-ray structure of the adduct between hen egg white lysozyme and a homoleptic gold(I) complex with the saccharynate ligand
Descriptor: CHLORIDE ION, GOLD ION, Lysozyme C, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-06-27
Release date:2013-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The mode of action of anticancer gold-based drugs: a structural perspective.
Chem.Commun.(Camb.), 49, 2013
2HOH
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BU of 2hoh by Molmil
RIBONUCLEASE T1 (N9A MUTANT) COMPLEXED WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J.
Deposit date:1998-09-14
Release date:1998-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dissection of the structural and functional role of a conserved hydration site in RNase T1.
Protein Sci., 8, 1999
6CUT
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BU of 6cut by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine
Descriptor: (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1
Authors:Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
4LL2
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BU of 4ll2 by Molmil
Crystal structure of plant lectin with two metal binding sites from cicer arietinum at 2.6 angstrom resolution
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Lectin, ...
Authors:Kumar, S, Dube, D, Bhushan, A, Dey, S, Sharma, S, Singh, T.P.
Deposit date:2013-07-09
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure plant lectinwith two metal binding sites from cicer arietinum at 2.6 angstrom resolution
TO BE PUBLISHED
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
3K38
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BU of 3k38 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010

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數據於2024-10-16公開中

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