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8IOT
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BU of 8iot by Molmil
Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-2 state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-03-13
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
6N6R
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BU of 6n6r by Molmil
Crystal structure of ABIN-1 UBAN in complex with two M1-linked di-ubiquitins
Descriptor: TNFAIP3-interacting protein 1, Ubiquitin
Authors:Rahighi, S, Dikic, I, Wakatsuki, S.
Deposit date:2018-11-27
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Recognition of M1-Linked Ubiquitin Chains by Native and Phosphorylated UBAN Domains.
J.Mol.Biol., 431, 2019
6N6S
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BU of 6n6s by Molmil
Crystal structure of ABIN-1 UBAN
Descriptor: TNFAIP3-interacting protein 1
Authors:Rahighi, S, Dikic, I, Wakatsuki, S.
Deposit date:2018-11-27
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Recognition of M1-Linked Ubiquitin Chains by Native and Phosphorylated UBAN Domains.
J.Mol.Biol., 431, 2019
6N5M
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BU of 6n5m by Molmil
Crystal structure of ABIN-1 UBAN in complex with one M1-linked di-ubiquitin
Descriptor: Polyubiquitin-C, TNFAIP3-interacting protein 1
Authors:Rahighi, S, Dikic, I, Wakatsuki, S.
Deposit date:2018-11-22
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Molecular Recognition of M1-Linked Ubiquitin Chains by Native and Phosphorylated UBAN Domains.
J.Mol.Biol., 431, 2019
5L3I
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BU of 5l3i by Molmil
Re-refinement of 4dd6; cisplatin coordination chemistry determination at hen egg white lysozyme His15
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-05-06
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect
ArXiv, 2016
6XRP
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BU of 6xrp by Molmil
Crystal structure of GlpG in complex with peptide ketoamide inhibitor, Ac-RVWHA-ketoamide-phenylbutyl
Descriptor: N-(4-phenylbutyl)formamide, Rhomboid protease GlpG, peptide ketoamide inhibitor
Authors:Urban, S, Cho, S.
Deposit date:2020-07-13
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
6XRO
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BU of 6xro by Molmil
Crystal structure of GlpG in complex with peptide boronate inhibitor, Ac-KRFRSMQYSA-B(OH)2
Descriptor: CHLORIDE ION, Rhomboid protease GlpG, SODIUM ION, ...
Authors:Urban, S, Cho, S.
Deposit date:2020-07-13
Release date:2020-09-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
8GS6
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BU of 8gs6 by Molmil
Structure of the SARS-CoV-2 BA.2.75 spike glycoprotein (closed state 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Anraku, Y, Tabata-Sasaki, K, Kita, S, Fukuhara, H, Maenaka, K, Hashiguchi, T.
Deposit date:2022-09-05
Release date:2022-10-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron BA.2.75 variant.
Cell Host Microbe, 30, 2022
6R9W
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BU of 6r9w by Molmil
Crystal structure of InhA in complex with AP-124 inhibitor
Descriptor: (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Takebayashi, Y, Hinchliffe, P, Spencer, J.
Deposit date:2019-04-04
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
8IBN
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BU of 8ibn by Molmil
Cryo-EM structure of KpFtsZ single filament
Descriptor: Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, POTASSIUM ION
Authors:Fujita, J, Amesaka, H, Yoshizawa, T, Kuroda, N, Kamimura, N, Hibino, K, Konishi, T, Kato, Y, Hara, M, Inoue, T, Namba, K, Tanaka, S, Matsumura, H.
Deposit date:2023-02-10
Release date:2023-08-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structures of a FtsZ single protofilament and a double-helical tube in complex with a monobody.
Nat Commun, 14, 2023
8T60
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BU of 8t60 by Molmil
CryoEM structure of an inward-facing MelBSt at a Na(+)-bound and sugar low-affinity conformation
Descriptor: Melibiose permease, NabFab_H Chain, NabFab_L Chain, ...
Authors:Guan, L.
Deposit date:2023-06-14
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Mobile barrier mechanisms for Na + -coupled symport in an MFS sugar transporter.
Elife, 12, 2024
3F8G
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BU of 3f8g by Molmil
The X-ray structure of a dimeric variant of human pancreatic ribonuclease with high cytotoxic and antitumor activities
Descriptor: Ribonuclease pancreatic, SULFATE ION
Authors:Merlino, A, Avella, G, Mazzarella, L, Sica, F.
Deposit date:2008-11-12
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural features for the mechanism of antitumor action of a dimeric human pancreatic ribonuclease variant.
Protein Sci., 18, 2009
3O95
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BU of 3o95 by Molmil
Crystal Structure of Human DPP4 Bound to TAK-100
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-08-03
Release date:2011-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
Descriptor: GLYCEROL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-31
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3O9V
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BU of 3o9v by Molmil
Crystal Structure of Human DPP4 Bound to TAK-986
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-08-04
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
1X65
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BU of 1x65 by Molmil
Solution structure of the third cold-shock domain of the human KIAA0885 protein (UNR PROTEIN)
Descriptor: UNR protein
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-17
Release date:2005-11-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
3OPM
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BU of 3opm by Molmil
Crystal Structure of Human DPP4 Bound to TAK-294
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-09-01
Release date:2011-10-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.
Bioorg.Med.Chem., 19, 2011
8BNA
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BU of 8bna by Molmil
BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Pjura, P.E, Grzeskowiak, K, Dickerson, R.E.
Deposit date:1986-08-29
Release date:1987-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of Hoechst 33258 to the minor groove of B-DNA.
J.Mol.Biol., 197, 1987
8GSQ
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BU of 8gsq by Molmil
Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment.
Descriptor: (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ...
Authors:Aouti, S, Padmanabhan, B.
Deposit date:2022-09-06
Release date:2023-06-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis.
Acta Crystallogr D Struct Biol, 79, 2023
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: Polymerase PB2
Authors:Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-12-21
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: 1,2-ETHANEDIOL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-20
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
1X67
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BU of 1x67 by Molmil
Solution structure of the cofilin homology domain of HIP-55 (drebrin-like protein)
Descriptor: Drebrin-like protein
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-17
Release date:2005-11-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structures of actin depolymerizing factor homology domains.
Protein Sci., 18, 2009
2YS5
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BU of 2ys5 by Molmil
Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK
Descriptor: ALK tyrosine kinase receptor, Fibroblast growth factor receptor substrate 3
Authors:Li, H, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2
J.Struct.Funct.Genom., 11, 2010
2YTY
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BU of 2yty by Molmil
Solution structure of the fourth cold-shock domain of the human KIAA0885 protein (UNR protein)
Descriptor: Cold shock domain-containing protein E1
Authors:Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
2YTX
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BU of 2ytx by Molmil
Solution structure of the second cold-shock domain of the human KIAA0885 protein (UNR protein)
Descriptor: Cold shock domain-containing protein E1
Authors:Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010

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