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8Y1M
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BU of 8y1m by Molmil
Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Nakamura, T, Kuwata, K, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K.
Deposit date:2024-01-25
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
Descriptor: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
Authors:Zhang, H, Chen, H, Ma, G.
Deposit date:2019-03-22
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, Lenacapavir
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
6V74
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BU of 6v74 by Molmil
Crystal Structure of Human PKM2 in Complex with L-asparagine
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARAGINE, CHLORIDE ION, ...
Authors:Nandi, S, Dey, M.
Deposit date:2019-12-07
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2.
J.Biol.Chem., 295, 2020
6J5L
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BU of 6j5l by Molmil
Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e
Descriptor: High affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
Authors:Kensuke, A, Kazutaka, I.
Deposit date:2019-01-11
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 29, 2019
4UCO
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BU of 4uco by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE
Authors:Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
Deposit date:2014-12-04
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
4UZG
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BU of 4uzg by Molmil
Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1
Authors:Malito, E, Cozzi, R, Bottomley, M.J.
Deposit date:2014-09-05
Release date:2015-05-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
4US5
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BU of 4us5 by Molmil
Crystal Structure of apo-MsnO8
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Maier, S, Pflueger, T, Loesgen, S, Asmus, K, Broetz, E, Paululat, T, Zeeck, A, Andrade, S, Bechthold, A.
Deposit date:2014-07-03
Release date:2014-07-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights Into the Bioactivity of Mensacarcin and Epoxide Formation by Msno8.
Chembiochem, 15, 2014
6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
Descriptor: CADMIUM ION, HEXANE, N-OCTANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
7VKE
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BU of 7vke by Molmil
Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A
Descriptor: 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ...
Authors:Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K.
Deposit date:2021-09-29
Release date:2022-08-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
4WDY
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BU of 4wdy by Molmil
JC Polyomavirus VP1 five-fold pore mutant N221Q
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-09-09
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins.
J.Virol., 89, 2015
6JOI
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BU of 6joi by Molmil
Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
Descriptor: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Platelet-derived growth factor receptor alpha
Authors:Liang, L, Yan, X.E, Yun, C.H.
Deposit date:2019-03-22
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of PDGFRA T674I in complex with crenolanib by co-crystallization
To Be Published
8XVM
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BU of 8xvm by Molmil
Structure of SARS-CoV-2 BA.2.86 spike glycoprotein in complex with ACE2 (3-up 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, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
Deposit date:2024-01-15
Release date:2024-10-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XV0
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BU of 8xv0 by Molmil
Structure of SARS-CoV-2 BA.2.86 spike RBD in complex with ACE2 (up 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, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
Deposit date:2024-01-14
Release date:2024-10-09
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XV1
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BU of 8xv1 by Molmil
Structure of SARS-CoV-2 BA.2.86 spike RBD in complex with ACE2 (down 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, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
Deposit date:2024-01-14
Release date:2024-10-09
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XNW
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BU of 8xnw by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type II, Wild type mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XUY
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BU of 8xuy by Molmil
Structure of SARS-CoV-2 BA.2.86 spike glycoprotein in complex with ACE2 (2-up 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, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Maenaka, K, Hashiguchi, T.
Deposit date:2024-01-14
Release date:2024-10-09
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for receptor-binding domain mobility of the spike in SARS-CoV-2 BA.2.86 and JN.1.
Nat Commun, 15, 2024
8XNR
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BU of 8xnr by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type IB, Wild type mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNT
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BU of 8xnt by Molmil
Respiratory complex Peripheral Arm of CI, close form C, focus-refined map of type IB, Wild type mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XO0
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BU of 8xo0 by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type I, PERK -/- mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNX
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BU of 8xnx by Molmil
Respiratory complex Peripheral Arm of CI, open form A, focus-refined map of type II, Wild type mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNL
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BU of 8xnl by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type I, Wild type mouse under thermoneutral temperature
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNS
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BU of 8xns by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type IB, Wild type mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNM
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BU of 8xnm by Molmil
Respiratory complex Peripheral Arm of CI, close form B, focus-refined map of type I, Wild type mouse under thermoneutral temperature
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNZ
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BU of 8xnz by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type I, PERK -/- mouse under Cold Acclimation
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024

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