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6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
4KAB
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BU of 4kab by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole
分子名称: 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole, Focal adhesion kinase 1
著者Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V.
登録日2013-04-22
公開日2013-09-11
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6VZW
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BU of 6vzw by Molmil
TTLL6 bound to the initiation analog
分子名称: (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, T.E, Tjandra, N, Roll-Mecak, A.
登録日2020-02-28
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
6VOF
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BU of 6vof by Molmil
Chloroplast ATP synthase (O2, CF1FO)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-30
公開日2020-09-09
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.51 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
4PFF
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BU of 4pff by Molmil
Crystal structure of Plasmodium vivax SHMT with PLP Schiff base
分子名称: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
登録日2014-04-29
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4PRT
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BU of 4prt by Molmil
Human Aldose Reductase complexed with Schl12221 ({2-[5-(3-NITROPHENYL)FURAN-2-YL]PHENYL}ACETIC ACID) at 0.96 A
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-03-06
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published
6DMB
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BU of 6dmb by Molmil
Cryo-EM structure of human Ptch1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Yan, N, Gong, X, Qian, H.W.
登録日2018-06-04
公開日2018-07-11
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6DQJ
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BU of 6dqj by Molmil
Human type 3 1,4,5-inositol trisphosphate receptor in a ligand-free state
分子名称: Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
著者Hite, R.K, Paknejad, N.
登録日2018-06-11
公開日2018-08-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
6DMR
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BU of 6dmr by Molmil
Lipid-bound full-length rbTRPV5
分子名称: Transient receptor potential cation channel subfamily V member 5
著者Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2018-06-05
公開日2018-10-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
4PTN
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BU of 4ptn by Molmil
Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde
分子名称: 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ...
著者Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
登録日2014-03-11
公開日2014-12-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12.
Proteins, 71, 2008
4K8A
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BU of 4k8a by Molmil
Fragment-based discovery of Focal Adhesion Kinase Inhibitors
分子名称: 3-bromo-5-(2H-tetrazol-5-yl)pyridine, Focal adhesion kinase 1
著者Graedler, U, Bomke, J, Musil, D, Dresing, V, Lehmann, M, Hoelzemann, G, Esdar, C, Krier, M, Heinrich, T.
登録日2013-04-18
公開日2013-09-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6DS5
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BU of 6ds5 by Molmil
Cryo EM structure of human SEIPIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Seipin
著者Yan, R.H, Qian, H.W, Yan, N, Yang, H.Y.
登録日2018-06-13
公開日2018-10-24
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Human SEIPIN Binds Anionic Phospholipids.
Dev. Cell, 47, 2018
6W3Q
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BU of 6w3q by Molmil
APE1 exonuclease substrate complex L104R
分子名称: CALCIUM ION, DNA-(apurinic or apyrimidinic site) lyase, GCTGATGCG(C7R), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2020-03-09
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
5CLU
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BU of 5clu by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE
分子名称: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2015-07-16
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases.
Chemistry, 22, 2016
6DVC
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BU of 6dvc by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 6nt spacer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2018-06-23
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
7UNM
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BU of 7unm by Molmil
Human TMEM175 in an closed state
分子名称: Endosomal/lysosomal potassium channel TMEM175, POTASSIUM ION
著者Oh, S, Hite, R.K.
登録日2022-04-11
公開日2022-06-29
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Differential ion dehydration energetics explains selectivity in the non-canonical lysosomal K + channel TMEM175.
Elife, 11, 2022
7FPW
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BU of 7fpw by Molmil
DHFR:NADP+:FOL complex at 290 K (multi-crystal)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ2
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BU of 7fq2 by Molmil
DHFR:NADP+:FOL complex at 300 K (multi-crystal)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ5
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BU of 7fq5 by Molmil
DHFR:NADP+:FOL complex at 310 K (crystal 3)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPM
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BU of 7fpm by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 2)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPO
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BU of 7fpo by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 4)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPS
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BU of 7fps by Molmil
DHFR:NADP+:FOL complex at 290 K (crystal 2)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQF
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BU of 7fqf by Molmil
DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-12
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPN
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BU of 7fpn by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 3)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-09
公開日2023-09-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPR
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BU of 7fpr by Molmil
DHFR:NADP+:FOL complex at 290 K (crystal 1)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
登録日2022-09-10
公開日2023-09-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024

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