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PDB: 589 results

5ODO
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BU of 5odo by Molmil
Crystal Structure of the Oleate hydratase of Rhodococcus erythropolis
Descriptor: FORMIC ACID, GLYCEROL, Isomerase, ...
Authors:Driller, R, Lorenzen, J, Waldow, A, Qoura, F, Brueck, T, Loll, B.
Deposit date:2017-07-06
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family Tree - Biochemical and Structural Studies.
Chemcatchem, 2017
1A6G
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BU of 1a6g by Molmil
CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-25
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
8S8W
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BU of 8s8w by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8S8X
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BU of 8s8x by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
7QVM
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BU of 7qvm by Molmil
Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex
Descriptor: Antibody fragment scFv16, 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, ...
Authors:Waltenspuhl, Y, Ehrenmann, J, Vacca, S, Thom, C, Medalia, O, Pluckthun, A.
Deposit date:2022-01-21
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for the activation and ligand recognition of the human oxytocin receptor.
Nat Commun, 13, 2022
6HLL
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BU of 6hll by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994
Descriptor: (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLO
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BU of 6hlo by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ...
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
6HLP
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BU of 6hlp by Molmil
Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ...
Authors:Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
7RFO
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BU of 7rfo by Molmil
SeMet Tailspike protein 4 (TSP4) phage CBA120, residues 1-335, obtained in the presence of LiSO4
Descriptor: Tailspike protein
Authors:Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
Deposit date:2021-07-14
Release date:2022-02-23
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
7REJ
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BU of 7rej by Molmil
Tailspike protein 4 (TSP4) from phage CBA120, residues 1-335, obtained in the presence of NaK-Tartrate
Descriptor: IMIDAZOLE, Tailspike protein
Authors:Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
Deposit date:2021-07-13
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
7RFV
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BU of 7rfv by Molmil
Tailspike protein 4 (TSP4) from phage CBA120, residues 1-250, obtained in the presence of PEG8000
Descriptor: Tailspike protein
Authors:Chao, K, Shang, X, Grenfield, J, Linden, S.B, Nelson, D.C, Herzberg, O.
Deposit date:2021-07-14
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia coli O157:H7 bacteriophage CBA120 tailspike protein 4 baseplate anchor and tailspike assembly domains (TSP4-N).
Sci Rep, 12, 2022
5K9S
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BU of 5k9s by Molmil
Importin-alpha in complex with HNF1-beta peptide
Descriptor: HNF1 beta A splice variant 2, Importin subunit alpha-1
Authors:Wiedmann, M.M, Aibara, S, Spring, D.R, Stewart, M, Brenton, J.
Deposit date:2016-06-01
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Importin-alpha in complex with HNF1-beta peptide
To Be Published
1A6M
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BU of 1a6m by Molmil
OXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
1A6K
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BU of 1a6k by Molmil
AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Vojtechovsky, J, Berendzen, J, Chu, K, Schlichting, I, Sweet, R.M.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
4BZB
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BU of 4bzb by Molmil
Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
6LBA
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BU of 6lba by Molmil
Cryo-EM structure of the AtMLKL2 tetramer
Descriptor: Protein kinase family protein
Authors:Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of the AtMLKL3 tetramer
To Be Published
1A6N
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BU of 1a6n by Molmil
DEOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-26
Release date:1999-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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
4BZC
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BU of 4bzc by Molmil
Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ...
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
6KA4
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BU of 6ka4 by Molmil
Cryo-EM structure of the AtMLKL3 tetramer
Descriptor: F22L4.1 protein
Authors:Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M.
Deposit date:2019-06-20
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of the AtMLKL3 tetramer
To Be Published
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
Deposit date:2012-11-09
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
7BFO
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BU of 7bfo by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by VX
Descriptor: ETHANOL, Esterase
Authors:Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
Deposit date:2021-01-04
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFN
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BU of 7bfn by Molmil
Apo form of Thermogutta terrifontis esterase 2
Descriptor: Esterase, SULFATE ION
Authors:Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
Deposit date:2021-01-04
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFU
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BU of 7bfu by Molmil
Thermogutta terrifontis esterase 2 phosphonylated by sarin
Descriptor: ETHANOL, Esterase
Authors:Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
Deposit date:2021-01-04
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021
7BFR
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BU of 7bfr by Molmil
Thermogutta terrifontis esterase 2 phosphorylated by paraoxon
Descriptor: CARBONATE ION, Esterase
Authors:Brazzolotto, X.B, Bzdrenga, J, Nachon, F.
Deposit date:2021-01-04
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Molecules, 26, 2021

223532

PDB entries from 2024-08-07

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