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5SPQ
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BU of 5spq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014134848 - (R) isomer
Descriptor: (3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPW
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BU of 5spw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00004674769 - (R,S,R) isomer
Descriptor: (1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
420D
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BU of 420d by Molmil
CRYSTAL STRUCTURE OF A 16-MER RNA DUPLEX WITH NON-ADJACENT A(ANTI).G(SYN) MISMATCHES
Descriptor: RNA (5'-R(*GP*CP*AP*GP*AP*GP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'), SODIUM ION
Authors:Pan, B, Mitra, S.N, Sundaralingam, M.
Deposit date:1998-08-13
Release date:1999-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an RNA 16-mer duplex R(GCAGAGUUAAAUCUGC)2 with nonadjacent G(syn).A+(anti) mispairs.
Biochemistry, 38, 1999
1I6K
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BU of 1i6k by Molmil
1.7 HIGH RESOLUTION EXPERIMENTAL PHASES FOR TRYPTOPHANYL-TRNA SYNTHETASE COMPLEXED WITH TRYPTOPHANYL-5'AMP
Descriptor: AMMONIUM ION, GLYCEROL, SULFATE ION, ...
Authors:Retailleau, P, Carter, C.W.
Deposit date:2001-03-02
Release date:2001-11-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:High-resolution experimental phases for tryptophanyl-tRNA synthetase (TrpRS) complexed with tryptophanyl-5'AMP.
Acta Crystallogr.,Sect.D, 57, 2001
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5I5W
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BU of 5i5w by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
9C28
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BU of 9c28 by Molmil
Structure of endogenous Glutamine synthetase from rat model of Alzheimer's disease
Descriptor: Glutamine synthetase, MANGANESE (II) ION
Authors:Khalili Samani, E, Keszei, A.F.A, Mazhab-Jafari, M.T.
Deposit date:2024-05-30
Release date:2024-12-11
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Unveiling the structural proteome of an Alzheimer's disease rat brain model.
Structure, 33, 2025
3VQY
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BU of 3vqy by Molmil
Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with BocLys and AMPPNP (form 2)
Descriptor: MAGNESIUM ION, N~6~-(tert-butoxycarbonyl)-L-lysine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yanagisawa, T, Sumida, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2012-04-02
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site
Acta Crystallogr.,Sect.D, 69, 2013
7P8W
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BU of 7p8w by Molmil
Human erythrocyte catalase cryoEM
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chen, S, Li, J, Vinothkumar, K.R, Henderson, R.
Deposit date:2021-07-23
Release date:2021-08-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Interaction of human erythrocyte catalase with air-water interface in cryoEM.
Microscopy (Oxf), 71, 2022
5IBJ
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BU of 5ibj by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
7XAT
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BU of 7xat by Molmil
Structure of somatostatin receptor 2 bound with SST14.
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-03-19
Release date:2022-08-31
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues.
Cell Discov, 8, 2022
9C6K
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BU of 9c6k by Molmil
Cryo-EM structure of the TPP riboswitch embedded in an RNA scaffold bound to thiamine pyrophosphate
Descriptor: MAGNESIUM ION, SODIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:Toor, N.
Deposit date:2024-06-07
Release date:2024-12-04
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Scaffold-enabled high-resolution cryo-EM structure determination of RNA.
Nat Commun, 16, 2025
6VZS
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BU of 6vzs by Molmil
Engineered TTLL6 mutant bound to gamma-elongation analog
Descriptor: (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2020-02-28
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
4ARC
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BU of 4arc by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and leucine in the editing conformation
Descriptor: LEUCINE, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-23
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
9FIK
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BU of 9fik by Molmil
Structure of the FAB fragment of the Antibody NTF30037 in complex with NTF3
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NTF30037 Heavy Chain, ...
Authors:Gallego, P, Aagaard, A, Sjogren, T, Chin, S, Neal, F.
Deposit date:2024-05-29
Release date:2025-04-02
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification of unique binding mode anti-NTF3 antibodies from a novel long VH CDR3 phage display library.
Slas Discov, 31, 2025
5INP
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BU of 5inp by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mn2+ complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(P*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-03-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
2FLH
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BU of 2flh by Molmil
Crystal structure of cytokinin-specific binding protein from mung bean in complex with cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, SODIUM ION, cytokinin-specific binding protein
Authors:Pasternak, O, Bujacz, G.D, Sikorski, M.M, Jaskolski, M.
Deposit date:2006-01-06
Release date:2006-11-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Vigna radiata Cytokinin-Specific Binding Protein in Complex with Zeatin.
Plant Cell, 18, 2006
5I5T
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BU of 5i5t by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
4AS1
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BU of 4as1 by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
Descriptor: LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU5 (UAA ISOACEPTOR)
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-27
Release date:2012-06-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
8T9D
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BU of 8t9d by Molmil
CryoEM structure of TR-TRAP
Descriptor: Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ...
Authors:Zhao, H, Asturias, F.
Deposit date:2023-06-23
Release date:2024-07-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.66 Å)
Cite:An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
2ZBF
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BU of 2zbf by Molmil
Calcium pump crystal structure with bound BeF3 and TG in the absence of calcium
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Toyoshima, C, Ogawa, H, Norimatsu, Y.
Deposit date:2007-10-20
Release date:2007-12-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
6VZU
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BU of 6vzu by Molmil
TTLL6 bound to alpha-elongation analog
Descriptor: (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.B, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2020-02-28
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
4IAQ
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BU of 4iaq by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
Descriptor: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
Authors:Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
1I6L
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BU of 1i6l by Molmil
1.7 HIGH RESOLUTION EXPERIMENTAL PHASES FOR TRYPTOPHANYL-TRNA SYNTHETASE COMPLEXED WITH TRYPTOPHANYL-5'AMP
Descriptor: AMMONIUM ION, GLYCEROL, SULFATE ION, ...
Authors:Retailleau, P, Carter, C.W.
Deposit date:2001-03-02
Release date:2001-11-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:High-resolution experimental phases for tryptophanyl-tRNA synthetase (TrpRS) complexed with tryptophanyl-5'AMP.
Acta Crystallogr.,Sect.D, 57, 2001

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