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6X3F
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BU of 6x3f by Molmil
hEAAT3-IFS-Apo
Descriptor: CHOLINE ION, Excitatory amino acid transporter 3
Authors:Qiu, B, Matthies, D, Boudker, O.
Deposit date:2020-05-21
Release date:2021-03-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
5KQB
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BU of 5kqb by Molmil
Identification and structural characterization of LytU
Descriptor: Peptidase M23, ZINC ION
Authors:Raulinaitis, V, Tossavainen, H, Permi, P.
Deposit date:2016-07-06
Release date:2017-08-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Identification and structural characterization of LytU, a unique peptidoglycan endopeptidase from the lysostaphin family.
Sci Rep, 7, 2017
5KQC
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BU of 5kqc by Molmil
Identification and structural characterization of LytU
Descriptor: Peptidase M23, ZINC ION
Authors:Tossavainen, H, Raulinaitis, V, Permi, P.
Deposit date:2016-07-06
Release date:2017-08-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Identification and structural characterization of LytU, a unique peptidoglycan endopeptidase from the lysostaphin family.
Sci Rep, 7, 2017
6WRP
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BU of 6wrp by Molmil
Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Weidle, C, Pancera, M.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
5LK0
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BU of 5lk0 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 100 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, SODIUM ION
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LD2
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BU of 5ld2 by Molmil
Cryo-EM structure of RecBCD+DNA complex revealing activated nuclease domain
Descriptor: Fork-Hairpin DNA (70-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wilkinson, M, Chaban, Y, Wigley, D.B.
Deposit date:2016-06-23
Release date:2016-10-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Mechanism for nuclease regulation in RecBCD.
Elife, 5, 2016
8HGA
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BU of 8hga by Molmil
Monomer structure of transforming growth factor beta induced protein (TGFBIp) G623R fibril
Descriptor: Transforming growth factor-beta-induced protein ig-h3
Authors:Low, J.Y.K, Pervushin, K.
Deposit date:2022-11-14
Release date:2023-07-26
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Release of frustration drives corneal amyloid disaggregation by brain chaperone.
Commun Biol, 6, 2023
8HIA
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BU of 8hia by Molmil
Structure of transforming growth factor beta induced protein (TGFBIp) G623R fibril
Descriptor: Transforming growth factor-beta-induced protein ig-h3
Authors:Low, J.Y.K, Pervushin, K.
Deposit date:2022-11-19
Release date:2023-07-26
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Release of frustration drives corneal amyloid disaggregation by brain chaperone.
Commun Biol, 6, 2023
5LK1
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BU of 5lk1 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 200 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LOF
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BU of 5lof by Molmil
Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
8HRH
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BU of 8hrh by Molmil
SN-131/1B2 anti-MUC1 antibody with a glycopeptide
Descriptor: 1-ACETYL-L-PROLINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANINE, ...
Authors:Wakui, H, Horidome, C, Yao, M, Ose, T, Nishimura, S.-I.
Deposit date:2022-12-15
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural and molecular insight into antibody recognition of dynamic neoepitopes in membrane tethered MUC1 of pancreatic cancer cells and secreted exosomes.
Rsc Chem Biol, 4, 2023
5LJX
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BU of 5ljx by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 600 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
8HTV
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BU of 8htv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a
Descriptor: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase
Authors:Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
Descriptor: BA7535 fab, Spike glycoprotein
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-20
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8HTB
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BU of 8htb by Molmil
Staphylococcus aureus FtsZ 12-316 complexed with TXH9179
Descriptor: 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
Authors:Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S.
Deposit date:2022-12-21
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Acs Chem.Biol., 18, 2023
8HEW
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BU of 8hew by Molmil
Potato 14-3-3 St14f
Descriptor: 14-3-3 protein, StFDL1 peptide
Authors:Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C.
Deposit date:2022-11-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening.
Plant J., 112, 2022
5D6S
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BU of 5d6s by Molmil
Structure of epoxyqueuosine reductase from Streptococcus thermophilus.
Descriptor: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER
Authors:Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D.
Deposit date:2015-08-12
Release date:2015-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
5A4K
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BU of 5a4k by Molmil
Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P.
Deposit date:2015-06-10
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
Descriptor: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
Descriptor: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
6DA0
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BU of 6da0 by Molmil
Crystal structure of glucokinase (NfHK) from Naegleria fowleri
Descriptor: Glucokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, beta-D-glucopyranose
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-05-01
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymatic and Structural Characterization of theNaegleria fowleriGlucokinase.
Antimicrob.Agents Chemother., 63, 2019
6DK1
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BU of 6dk1 by Molmil
Human sigma-1 receptor bound to (+)-pentazocine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ...
Authors:Schmidt, H.R, Kruse, A.C.
Deposit date:2018-05-28
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018

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