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7LDY
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BU of 7ldy by Molmil
HIV-1 Protease WT (NL4-3) in Complex with TMC-126
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE0
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HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE1
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BU of 7le1 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass2
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE2
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BU of 7le2 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass4
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LDZ
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BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
5JBT
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BU of 5jbt by Molmil
Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2)
分子名称: Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ...
著者Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S.
登録日2016-04-13
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
4DQM
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BU of 4dqm by Molmil
Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
分子名称: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
登録日2012-02-16
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
2BBY
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BU of 2bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, 30 STRUCTURES
分子名称: RAP30
著者Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
登録日1998-04-27
公開日1998-11-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-12-20
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.304 Å)
主引用文献Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
3OC3
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BU of 3oc3 by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HELICASE MOT1, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1)
著者Wollmann, P, Cui, S, Viswanathan, R, Berninghausen, O, Wells, M.N, Moldt, M, Witte, G, Butryn, A, Wendler, P, Beckmann, R, Auble, D.T, Hopfner, K.-P.
登録日2010-08-09
公開日2011-07-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011
1BBY
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BU of 1bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE
分子名称: RAP30
著者Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
登録日1998-04-26
公開日1998-11-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
分子名称: SULFATE ION, UMP-CMP kinase
著者Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
登録日2021-03-05
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
3VFE
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BU of 3vfe by Molmil
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
分子名称: 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6
著者Chen, X, Zhang, Y, Xia, T, Wang, R.
登録日2012-01-09
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
2KZX
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BU of 2kzx by Molmil
Solution NMR Structure of A3DHT5 from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR116
分子名称: Uncharacterized protein
著者Mills, J.L, Eletsky, A, Lee, H, Janjua, H, Ciccosanti, C, Wang, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-25
公開日2010-08-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target CmR116
To be Published
7ESF
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BU of 7esf by Molmil
The Crystal Structure of human MTH1 from Biortus
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
著者Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F.
登録日2021-05-10
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Crystal Structure of human MTH1 from Biortus
To Be Published
3I4H
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BU of 3i4h by Molmil
Crystal structure of Cas6 in Pyrococcus furiosus
分子名称: endoribonuclease
著者Carte, J, Wang, R, Li, H, Terns, R.M, Terns, M.P.
登録日2009-07-01
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cas6 is an endoribonuclease that generates guide RNAs for invader defense in prokaryotes
Genes Dev., 22, 2008
4LAK
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BU of 4lak by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form
分子名称: Uracil-5-carboxylate decarboxylase, ZINC ION
著者Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
3NMU
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BU of 3nmu by Molmil
Crystal Structure of substrate-bound halfmer box C/D RNP
分子名称: 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ...
著者Li, H, Xue, S, Wang, R.
登録日2010-06-22
公開日2011-05-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.729 Å)
主引用文献Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010

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